methyl 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-chlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-chlorobenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H12ClN3O3S2 MolecularWeight: 405.87848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O3S2/c1-24-15(23)10-4-7-12-13(8-10)26-17(19-12)21-16(25)20-14(22)9-2-5-11(18)6-3-9/h2-8H,1H3,(H2,19,20,21,22,25)