(3S)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(3-chlorobenzothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H17ClN2OS MolecularWeight: 356.86908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)N

InChI

InChI=1S/C19H17ClN2OS/c20-18-14-7-3-4-8-16(14)24-17(18)11-22-10-13-6-2-1-5-12(13)9-15(22)19(21)23/h1-8,15H,9-11H2,(H2,21,23)/t15-/m0/s1