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

Systemtic Name: 1-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-(3-mercaptopropylamino)-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-(3-mercaptopropylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCCCS

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCCCS

InChI

InChI=1S/C18H26N2O2S/c1-12(2)16(19-8-5-9-23)18(22)17-15-7-4-3-6-13(15)10-14(11-21)20-17/h3-4,6-7,11-12,14,16-17,19-20,23H,5,8-10H2,1-2H3