N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-fluoro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(2-fluoro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(CCSC)NC(=O)C2CC3=CC=CC=C3CN2)F

InChI

InChI=1S/C22H26FN3O2S/c1-14-7-8-18(17(23)11-14)25-21(27)19(9-10-29-2)26-22(28)20-12-15-5-3-4-6-16(15)13-24-20/h3-8,11,19-20,24H,9-10,12-13H2,1-2H3,(H,25,27)(H,26,28)