N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H21N3O2S/c1-13-6-5-8-17(14(13)2)24-12-15(10-20(24)25)21(26)22-11-19-23-16-7-3-4-9-18(16)27-19/h3-9,15H,10-12H2,1-2H3,(H,22,26)