methyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethyl-amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[(4-methoxyanilino)-sulfanylidenemethyl]-phenethylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-methoxyphenyl)carbamothioyl-phenethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[(4-methoxyphenyl)thiocarbamoyl-phenethyl-amino]pyrrolidino]benzoic acid methyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CCC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O5S/c1-35-23-14-10-21(11-15-23)29-28(37)30(17-16-19-6-4-3-5-7-19)24-18-25(32)31(26(24)33)22-12-8-20(9-13-22)27(34)36-2/h3-15,24H,16-18H2,1-2H3,(H,29,37)