1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)-N-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: N-benzyl-1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: 1-[(cyclopropylamino)-sulfanylidenemethyl]-4-(2,3-dimethoxyphenyl)-N-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: N-benzyl-1-(cyclopropylcarbamothioyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: N-benzyl-1-(cyclopropylthiocarbamoyl)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2CN(CC2C(=O)NCC3=CC=CC=C3)C(=S)NC4CC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2CN(CC2C(=O)NCC3=CC=CC=C3)C(=S)NC4CC4

InChI

InChI=1S/C24H29N3O3S/c1-29-21-10-6-9-18(22(21)30-2)19-14-27(24(31)26-17-11-12-17)15-20(19)23(28)25-13-16-7-4-3-5-8-16/h3-10,17,19-20H,11-15H2,1-2H3,(H,25,28)(H,26,31)