N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4)C

InChI

InChI=1S/C25H26N2O3S/c1-17-9-10-21(14-18(17)2)31-13-11-26-24(28)22-15-19-6-3-4-7-20(19)16-27(22)25(29)23-8-5-12-30-23/h3-10,12,14,22H,11,13,15-16H2,1-2H3,(H,26,28)