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

Systemtic Name: methyl 4-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-13-4-3-5-15(12-13)19(28)22-16-8-6-14(7-9-16)20(29)24-25-21(31)23-17(26)10-11-18(27)30-2/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,24,29)(H2,23,25,26,31)