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

Systemtic Name: 3-phenylpropyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(4-sec-butoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-butan-2-yloxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-sec-butoxyphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-3-18(2)30-21-13-11-20(12-14-21)25-24(31)26-22(27)15-16-23(28)29-17-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,18H,3,7,10,15-17H2,1-2H3,(H2,25,26,27,31)