3-phenylpropyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(p-phenetylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O5S/c1-2-36-23-16-14-22(15-17-23)30-28(35)24-12-6-7-13-25(24)31-29(38)32-26(33)18-19-27(34)37-20-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-17H,2,8,11,18-20H2,1H3,(H,30,35)(H2,31,32,33,38)