N'-[3-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide

Systemtic Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide Openeye Name: N'-[3-[5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methylthiazol-2-yl)pyrrolidine-1-carboxamidine CAS Name: N'-[3-[2-(3,5-dimethylphenyl)-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methyl-2-thiazolyl)-1-pyrrolidinecarboximidamide IUPAC Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboximidamide Traditional Name: N'-[3-[2-(3,5-dimethylphenyl)-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1H-indol-3-yl]propyl]-N-isocyano-3-(4-methylthiazol-2-yl)pyrrolidine-1-carboxamidine Formula: C37H45N7OS MolecularWeight: 635.8645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCCC4)CCCN=C(N[N+]#[C-])N5CCC(C5)C6=NC(=CS6)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4CCCC4)CCCN=C(N[N+]#[C-])N5CCC(C5)C6=NC(=CS6)C)C

InChI

InChI=1S/C37H45N7OS/c1-24-18-25(2)20-28(19-24)33-30(31-21-29(11-12-32(31)41-33)37(4,5)35(45)43-15-7-8-16-43)10-9-14-39-36(42-38-6)44-17-13-27(22-44)34-40-26(3)23-46-34/h11-12,18-21,23,27,41H,7-10,13-17,22H2,1-5H3,(H,39,42)