N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C24H20N6O2S3 MolecularWeight: 520.6496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C24H20N6O2S3/c31-22(19-7-3-11-29(19)23(32)20-8-4-12-33-20)25-15-9-10-17-21(13-15)35-24(26-17)34-14-30-18-6-2-1-5-16(18)27-28-30/h1-2,4-6,8-10,12-13,19H,3,7,11,14H2,(H,25,31)