N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide Openeye Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide CAS Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyanilino)-sulfanylidenemethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyphenyl)carbamothioyl]pyrrolidine-3-carboxamide Traditional Name: N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-[(4-methoxyphenyl)thiocarbamoyl]pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CC(C(C2)C(=O)NCC3CC3)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CC(C(C2)C(=O)NCC3CC3)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-30-18-11-9-17(10-12-18)27-25(33)28-14-20(19-5-4-6-22(31-2)23(19)32-3)21(15-28)24(29)26-13-16-7-8-16/h4-6,9-12,16,20-21H,7-8,13-15H2,1-3H3,(H,26,29)(H,27,33)