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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-phenethyloxyphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4S/c31-26(16-17-27(32)34-19-8-13-22-9-3-1-4-10-22)30-28(35)29-24-14-7-15-25(21-24)33-20-18-23-11-5-2-6-12-23/h1-7,9-12,14-15,21H,8,13,16-20H2,(H2,29,30,31,35)