phenethyl 4-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4S/c1-19-12-15-29(16-13-19)25(32)21-8-5-9-22(18-21)27-26(34)28-23(30)10-11-24(31)33-17-14-20-6-3-2-4-7-20/h2-9,18-19H,10-17H2,1H3,(H2,27,28,30,34)