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

Systemtic Name: propyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-3-15-30-21(28)14-13-20(27)25-23(31)24-19-12-8-7-11-18(19)22(29)26(2)16-17-9-5-4-6-10-17/h4-12H,3,13-16H2,1-2H3,(H2,24,25,27,31)