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

Systemtic Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c1-2-32(25-13-7-4-8-14-25)28(35)23-15-17-24(18-16-23)30-29(37)31-26(33)19-20-27(34)36-21-9-12-22-10-5-3-6-11-22/h3-8,10-11,13-18H,2,9,12,19-21H2,1H3,(H2,30,31,33,37)