3-chloranyl-N-[(2,5-dimethoxyphenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2,5-dimethoxyphenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2,5-dimethoxyphenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C19H17ClN2O4S2 MolecularWeight: 436.93228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O4S2/c1-24-10-5-7-14(26-3)13(8-10)21-19(27)22-18(23)17-16(20)12-6-4-11(25-2)9-15(12)28-17/h4-9H,1-3H3,(H2,21,22,23,27)