N-[1-[(2-methoxy-5-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(2-methoxy-5-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-methoxy-5-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2-methoxy-5-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15-8-9-21(29-2)19(12-15)26-22(27)18(10-11-30-3)25-23(28)20-13-16-6-4-5-7-17(16)14-24-20/h4-9,12,18,20,24H,10-11,13-14H2,1-3H3,(H,25,28)(H,26,27)