3-chloranyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3OS2 MolecularWeight: 415.95942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClN3OS2/c21-17-13-7-1-4-10-16(13)27-18(17)19(25)23-20(26)22-14-8-2-3-9-15(14)24-11-5-6-12-24/h1-4,7-10H,5-6,11-12H2,(H2,22,23,25,26)