1-[3-methyl-2-[(2-oxidanyl-3-sulfanyl-propyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

Systemtic Name: 1-[3-methyl-2-[(2-oxidanyl-3-sulfanyl-propyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-[(2-hydroxy-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-[(2-hydroxy-3-mercaptopropyl)amino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-[(2-hydroxy-3-sulfanylpropyl)amino]-3-methylbutanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-[(2-hydroxy-3-mercapto-propyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCC(CS)O

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)NCC(CS)O

InChI

InChI=1S/C18H26N2O3S/c1-11(2)16(19-8-14(22)10-24)18(23)17-15-6-4-3-5-12(15)7-13(9-21)20-17/h3-6,9,11,13-14,16-17,19-20,22,24H,7-8,10H2,1-2H3