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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(4-phenylazophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-phenylazophenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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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)N=NC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c31-24(17-18-25(32)33-19-7-10-20-8-3-1-4-9-20)28-26(34)27-21-13-15-23(16-14-21)30-29-22-11-5-2-6-12-22/h1-6,8-9,11-16H,7,10,17-19H2,(H2,27,28,31,34)