3-phenylpropyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-heptoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4S/c1-2-3-4-5-9-20-32-24-16-14-23(15-17-24)28-27(34)29-25(30)18-19-26(31)33-21-10-13-22-11-7-6-8-12-22/h6-8,11-12,14-17H,2-5,9-10,13,18-21H2,1H3,(H2,28,29,30,34)