methyl 3-chloranyl-6-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(4-chlorobenzoyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(4-chlorobenzoyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(4-chlorobenzoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H13Cl2N3O3S2 MolecularWeight: 454.35012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O3S2/c1-26-17(25)15-14(20)12-7-6-11(8-13(12)28-15)21-18(27)23-22-16(24)9-2-4-10(19)5-3-9/h2-8H,1H3,(H,22,24)(H2,21,23,27)