3-chloranyl-N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-3-chloro-N-[3-(dimethylamino)propyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-(dimethylamino)propyl]-N-[2-(phenylmethylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-3-chloro-N-[3-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-3-chloro-N-[3-(dimethylamino)propyl]benzothiophene-2-carboxamide Formula: C27H27ClN2OS2 MolecularWeight: 495.09908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C)CCCN(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3