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6-methoxy-2-methyl-N-[3-(2-methylphenyl)sulfanylpropanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide

6-methoxy-2-methyl-N-[3-(2-methylphenyl)sulfanylpropanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide

Systemtic Name:6-methoxy-2-methyl-N-[3-(2-methylphenyl)sulfanylpropanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide
Openeye Name:6-methoxy-2-methyl-N-[3-(o-tolylsulfanyl)propanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide
CAS Name:6-methoxy-2-methyl-N-[3-[(2-methylphenyl)thio]-1-oxopropyl]-4-phenyl-1H-isoquinoline-3-carboxamide
IUPAC Name:6-methoxy-2-methyl-N-[3-(2-methylphenyl)sulfanylpropanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide
Traditional Name:6-methoxy-2-methyl-N-[3-(o-tolylthio)propanoyl]-4-phenyl-1H-isoquinoline-3-carboxamide
Formula: C28H28N2O3S
MolecularWeight: 472.59852
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC(=O)NC(=O)C2=C(C3=C(CN2C)C=CC(=C3)OC)C4=CC=CC=C4


Isomeric SMILES

CC1=CC=CC=C1SCCC(=O)NC(=O)C2=C(C3=C(CN2C)C=CC(=C3)OC)C4=CC=CC=C4


InChI

InChI=1S/C28H28N2O3S/c1-19-9-7-8-12-24(19)34-16-15-25(31)29-28(32)27-26(20-10-5-4-6-11-20)23-17-22(33-3)14-13-21(23)18-30(27)2/h4-14,17H,15-16,18H2,1-3H3,(H,29,31,32)


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