phenethyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(isobutyrylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-16(2)22(29)24-18-9-6-10-19(15-18)25-23(31)26-20(27)11-12-21(28)30-14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H2,25,26,27,31)