phenethyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c1-31(20-22-12-6-3-7-13-22)27(34)23-14-8-9-15-24(23)29-28(36)30-25(32)16-17-26(33)35-19-18-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3,(H2,29,30,32,36)