N-[1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[3-methylsulfanyl-1-(p-tolylmethylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-[(4-methylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-[(4-methylbenzyl)carbamoyl]-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-16-7-9-17(10-8-16)14-25-22(27)20(11-12-29-2)26-23(28)21-13-18-5-3-4-6-19(18)15-24-21/h3-10,20-21,24H,11-15H2,1-2H3,(H,25,27)(H,26,28)