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

Systemtic Name: 1-[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylbutanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C18H27N3O2S MolecularWeight: 349.49088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-11(2)16(20-8-13(19)10-24)18(23)17-15-6-4-3-5-12(15)7-14(9-22)21-17/h3-6,9,11,13-14,16-17,20-21,24H,7-8,10,19H2,1-2H3