3,6-bis(chloranyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H13Cl2N3O3S3 MolecularWeight: 498.42582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)OC

InChI

InChI=1S/C19H13Cl2N3O3S3/c1-26-9-6-11(27-2)15-13(7-9)30-19(22-15)24-18(28)23-17(25)16-14(21)10-4-3-8(20)5-12(10)29-16/h3-7H,1-2H3,(H2,22,23,24,25,28)