2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-hydroxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C29H21ClN2O2S2 MolecularWeight: 529.07224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C29H21ClN2O2S2/c30-27-21-9-4-5-10-24(21)36-26(27)17-32-16-23(29(34)31-18-7-2-1-3-8-18)20-13-12-19(33)15-22(20)28(32)25-11-6-14-35-25/h1-16,28,33H,17H2,(H,31,34)