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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H18Cl3N3OS2 MolecularWeight: 498.87612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C21H18Cl3N3OS2/c22-12-4-6-14-17(10-12)30-19(18(14)24)20(28)26-21(29)25-13-5-7-16(15(23)11-13)27-8-2-1-3-9-27/h4-7,10-11H,1-3,8-9H2,(H2,25,26,28,29)