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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-chloro-2-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=CC=C2Cl)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

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