methyl 3-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-bromo-4-methylbenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S/c1-10-6-7-12(9-14(10)19)16(24)21-22-18(27)20-15(23)11-4-3-5-13(8-11)17(25)26-2/h3-9H,1-2H3,(H,21,24)(H2,20,22,23,27)