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

Systemtic Name: 3,6-bis(chloranyl)-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H16Cl3N3OS2 MolecularWeight: 484.84954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C20H16Cl3N3OS2/c21-11-3-5-13-16(9-11)29-18(17(13)23)19(27)25-20(28)24-12-4-6-15(14(22)10-12)26-7-1-2-8-26/h3-6,9-10H,1-2,7-8H2,(H2,24,25,27,28)