1-[5-[(2-azanyl-3-sulfanyl-propyl)amino]-4-methyl-pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Systemtic Name: 1-[5-[(2-azanyl-3-sulfanyl-propyl)amino]-4-methyl-pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[5-[(2-amino-3-sulfanyl-propyl)amino]-4-methyl-pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[5-[(2-amino-3-mercaptopropyl)amino]-4-methylpentyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[5-[(2-amino-3-sulfanylpropyl)amino]-4-methylpentyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[5-[(2-amino-3-mercapto-propyl)amino]-4-methyl-pentyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1C2=CC=CC=C2CC(N1)C=O)CNCC(CS)N

Isomeric SMILES

CC(CCCC1C2=CC=CC=C2CC(N1)C=O)CNCC(CS)N

InChI

InChI=1S/C19H31N3OS/c1-14(10-21-11-16(20)13-24)5-4-8-19-18-7-3-2-6-15(18)9-17(12-23)22-19/h2-3,6-7,12,14,16-17,19,21-22,24H,4-5,8-11,13,20H2,1H3