1-[3-methyl-4-(3-sulfanylpropylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Systemtic Name: 1-[3-methyl-4-(3-sulfanylpropylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[3-methyl-4-(3-sulfanylpropylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[4-(3-mercaptopropylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[3-methyl-4-(3-sulfanylpropylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[4-(3-mercaptopropylamino)-3-methyl-butyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1C2=CC=CC=C2CC(N1)C=O)CNCCCS

Isomeric SMILES

CC(CCC1C2=CC=CC=C2CC(N1)C=O)CNCCCS

InChI

InChI=1S/C18H28N2OS/c1-14(12-19-9-4-10-22)7-8-18-17-6-3-2-5-15(17)11-16(13-21)20-18/h2-3,5-6,13-14,16,18-20,22H,4,7-12H2,1H3