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

Systemtic Name: 3-phenylpropyl 5-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[4-(m-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(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

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