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

Systemtic Name: phenethyl 4-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C31H34N4O5S MolecularWeight: 574.69046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C31H34N4O5S/c1-31(2,3)24-13-9-22(10-14-24)28(38)32-25-15-11-23(12-16-25)29(39)34-35-30(41)33-26(36)17-18-27(37)40-20-19-21-7-5-4-6-8-21/h4-16H,17-20H2,1-3H3,(H,32,38)(H,34,39)(H2,33,35,36,41)