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

Systemtic Name: N-[(2S)-1-[(3-fluorophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[(3-fluorophenyl)carbamoyl]-3-methylsulfanyl-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(3-fluoroanilino)-4-(methylthio)-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(3-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[(3-fluorophenyl)carbamoyl]-3-(methylthio)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CCSC)C(=O)NC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)NC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C23H28FN3O4S/c1-30-20-11-15-7-9-27(14-16(15)12-21(20)31-2)23(29)26-19(8-10-32-3)22(28)25-18-6-4-5-17(24)13-18/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,25,28)(H,26,29)/t19-/m0/s1