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

Systemtic Name: 3,6-bis(chloranyl)-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H11Cl2N3O2S3 MolecularWeight: 468.39984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H11Cl2N3O2S3/c1-25-9-3-5-11-13(7-9)28-18(21-11)23-17(26)22-16(24)15-14(20)10-4-2-8(19)6-12(10)27-15/h2-7H,1H3,(H2,21,22,23,24,26)