3-phenylpropyl 5-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(m-tolylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c1-21-9-5-14-24(19-21)30-28(35)23-13-6-15-25(20-23)31-29(37)32-26(33)16-7-17-27(34)36-18-8-12-22-10-3-2-4-11-22/h2-6,9-11,13-15,19-20H,7-8,12,16-18H2,1H3,(H,30,35)(H2,31,32,33,37)