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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC=CC=C3)C(=S)NC4CC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC=CC=C3)C(=S)NC4CC4)OC

InChI

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