methyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H14ClN3O4S2 MolecularWeight: 447.91516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H14ClN3O4S2/c1-27-18(26)11-8-6-10(7-9-11)16(24)21-19(28)23-22-17(25)15-14(20)12-4-2-3-5-13(12)29-15/h2-9H,1H3,(H,22,25)(H2,21,23,24,28)