6-[[3-methyl-2-(4-propan-2-ylphenyl)phenyl]carbonylamino]-N-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: 6-[[3-methyl-2-(4-propan-2-ylphenyl)phenyl]carbonylamino]-N-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: 6-[[2-(4-isopropylphenyl)-3-methyl-benzoyl]amino]-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: 6-[[[3-methyl-2-(4-propan-2-ylphenyl)phenyl]-oxomethyl]amino]-N-[(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: 6-[[3-methyl-2-(4-propan-2-ylphenyl)benzoyl]amino]-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl]-6-[(3-methyl-2-p-cumenyl-benzoyl)amino]-1,3-benzothiazole-2-carboxamide Formula: C37H36N4O3S MolecularWeight: 616.77174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)C(=O)NC(C5=CC=CC=C5)C(=O)N6CCCC6

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC4=C(C=C3)N=C(S4)C(=O)N[C@@H](C5=CC=CC=C5)C(=O)N6CCCC6

InChI

InChI=1S/C37H36N4O3S/c1-23(2)25-14-16-26(17-15-25)32-24(3)10-9-13-29(32)34(42)38-28-18-19-30-31(22-28)45-36(39-30)35(43)40-33(27-11-5-4-6-12-27)37(44)41-20-7-8-21-41/h4-6,9-19,22-23,33H,7-8,20-21H2,1-3H3,(H,38,42)(H,40,43)/t33-/m0/s1