6-methoxy-2-methyl-4-phenyl-N-(3-phenylsulfanylpropanoyl)-1H-isoquinoline-3-carboxamide

Systemtic Name: 6-methoxy-2-methyl-4-phenyl-N-(3-phenylsulfanylpropanoyl)-1H-isoquinoline-3-carboxamide Openeye Name: 6-methoxy-2-methyl-4-phenyl-N-(3-phenylsulfanylpropanoyl)-1H-isoquinoline-3-carboxamide CAS Name: 6-methoxy-2-methyl-N-[1-oxo-3-(phenylthio)propyl]-4-phenyl-1H-isoquinoline-3-carboxamide IUPAC Name: 6-methoxy-2-methyl-4-phenyl-N-(3-phenylsulfanylpropanoyl)-1H-isoquinoline-3-carboxamide Traditional Name: 6-methoxy-2-methyl-4-phenyl-N-[3-(phenylthio)propanoyl]-1H-isoquinoline-3-carboxamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCSC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CC2=C(C=C(C=C2)OC)C(=C1C(=O)NC(=O)CCSC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-29-18-20-13-14-21(32-2)17-23(20)25(19-9-5-3-6-10-19)26(29)27(31)28-24(30)15-16-33-22-11-7-4-8-12-22/h3-14,17H,15-16,18H2,1-2H3,(H,28,30,31)