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

Systemtic Name: 1-[2-(3-sulfanylpropylamino)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-(3-sulfanylpropylamino)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-(3-mercaptopropylamino)-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-(3-sulfanylpropylamino)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-(3-mercaptopropylamino)propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-11(17-7-4-8-21)16(20)15-14-6-3-2-5-12(14)9-13(10-19)18-15/h2-3,5-6,10-11,13,15,17-18,21H,4,7-9H2,1H3