3-phenylpropyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-acetamidophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-acetamidophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-16(26)23-18-9-11-19(12-10-18)24-22(30)25-20(27)13-14-21(28)29-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,23,26)(H2,24,25,27,30)