3-phenylpropyl 5-[(4-acetamidophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-acetamidophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-acetamidophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-acetamidophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-acetamidophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O4S/c1-17(27)24-19-12-14-20(15-13-19)25-23(31)26-21(28)10-5-11-22(29)30-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H,24,27)(H2,25,26,28,31)