1-(2,5-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C21H21N3O2S/c1-12-7-8-13(2)16(9-12)24-11-15(10-18(24)25)20(26)23-21-22-19-14(3)5-4-6-17(19)27-21/h4-9,15H,10-11H2,1-3H3,(H,22,23,26)