phenethyl 4-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H28N4O5S/c1-19-6-5-9-22(18-19)26(35)29-23-12-10-21(11-13-23)27(36)31-32-28(38)30-24(33)14-15-25(34)37-17-16-20-7-3-2-4-8-20/h2-13,18H,14-17H2,1H3,(H,29,35)(H,31,36)(H2,30,32,33,38)