N-[[(5-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[(5-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[(5-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[(5-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[(5-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[(5-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)C2=CC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NNC(=O)C2=CC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C19H16ClN3O4S2/c1-26-12-4-3-5-13(27-2)16(12)18(25)21-19(28)23-22-17(24)15-9-10-8-11(20)6-7-14(10)29-15/h3-9H,1-2H3,(H,22,24)(H2,21,23,25,28)