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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-anilinophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-anilinophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c30-24(17-18-25(31)32-19-7-10-20-8-3-1-4-9-20)29-26(33)28-23-15-13-22(14-16-23)27-21-11-5-2-6-12-21/h1-6,8-9,11-16,27H,7,10,17-19H2,(H2,28,29,30,33)