3-phenylpropyl 5-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H32N4O5S/c1-21-9-5-6-13-25(21)29(38)31-24-18-16-23(17-19-24)28(37)33-34-30(40)32-26(35)14-7-15-27(36)39-20-8-12-22-10-3-2-4-11-22/h2-6,9-11,13,16-19H,7-8,12,14-15,20H2,1H3,(H,31,38)(H,33,37)(H2,32,34,35,40)