3-phenylpropyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C31H35N3O4S/c1-31(2,3)24-16-14-23(15-17-24)29(37)32-25-12-7-13-26(21-25)33-30(39)34-27(35)18-19-28(36)38-20-8-11-22-9-5-4-6-10-22/h4-7,9-10,12-17,21H,8,11,18-20H2,1-3H3,(H,32,37)(H2,33,34,35,39)