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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-phenoxyphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(4-phenoxyphenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(4-phenoxyphenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(4-phenoxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c30-25(14-7-15-26(31)32-20-8-11-21-9-3-1-4-10-21)29-27(34)28-22-16-18-24(19-17-22)33-23-12-5-2-6-13-23/h1-6,9-10,12-13,16-19H,7-8,11,14-15,20H2,(H2,28,29,30,34)