N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: 1-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

InChI

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