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

Systemtic Name: 3-phenylpropyl 4-[(2-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(2-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(o-phenetylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-2-27-19-13-7-6-12-18(19)23-22(29)24-20(25)14-15-21(26)28-16-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13H,2,8,11,14-16H2,1H3,(H2,23,24,25,29)