N-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H30FN3O4S MolecularWeight: 475.576103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)F

InChI

InChI=1S/C24H30FN3O4S/c1-15-5-6-18(13-19(15)25)26-23(29)20(8-10-33-4)27-24(30)28-9-7-16-11-21(31-2)22(32-3)12-17(16)14-28/h5-6,11-13,20H,7-10,14H2,1-4H3,(H,26,29)(H,27,30)/t20-/m0/s1