3-chloranyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3OS2 MolecularWeight: 429.986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3OS2/c22-18-16-5-1-2-6-17(16)28-19(18)20(26)24-21(27)23-15-9-7-14(8-10-15)13-25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H2,23,24,26,27)