2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-6-oxidanyl-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C30H23ClN2O3S2 MolecularWeight: 559.09822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6=CC=CS6)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C6=CC=CS6)O

InChI

InChI=1S/C30H23ClN2O3S2/c1-36-24-15-21-20(14-23(24)34)22(30(35)32-18-8-3-2-4-9-18)16-33(29(21)26-12-7-13-37-26)17-27-28(31)19-10-5-6-11-25(19)38-27/h2-16,29,34H,17H2,1H3,(H,32,35)