1-[3-methyl-2-[methyl(3-sulfanylpropyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Systemtic Name: 1-[3-methyl-2-[methyl(3-sulfanylpropyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[3-methyl-2-[methyl(3-sulfanylpropyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-[3-mercaptopropyl(methyl)amino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[3-methyl-2-[methyl(3-sulfanylpropyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-[3-mercaptopropyl(methyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C19H28N2O2S MolecularWeight: 348.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)N(C)CCCS

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)N(C)CCCS

InChI

InChI=1S/C19H28N2O2S/c1-13(2)18(21(3)9-6-10-24)19(23)17-16-8-5-4-7-14(16)11-15(12-22)20-17/h4-5,7-8,12-13,15,17-18,20,24H,6,9-11H2,1-3H3