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

Systemtic Name: 3-phenylpropyl 4-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5S/c1-20-7-5-11-23(19-20)27(36)30-24-14-12-22(13-15-24)28(37)32-33-29(39)31-25(34)16-17-26(35)38-18-6-10-21-8-3-2-4-9-21/h2-5,7-9,11-15,19H,6,10,16-18H2,1H3,(H,30,36)(H,32,37)(H2,31,33,34,39)