N-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-carboxamide Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17ClN2O2S/c22-17-8-7-15(12-18(17)23-20(25)19-6-3-11-27-19)21(26)24-10-9-14-4-1-2-5-16(14)13-24/h1-8,11-12H,9-10,13H2,(H,23,25)