N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

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