propyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(phenyl)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=C(C=C1)C(=O)N(CC)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(CC)C2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-3-16-30-21(28)15-14-20(27)25-23(31)24-18-12-10-17(11-13-18)22(29)26(4-2)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H2,24,25,27,31)