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

Systemtic Name: 1-[2-[(2-azanyl-3-sulfanyl-propyl)-methyl-amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-[(2-amino-3-sulfanyl-propyl)-methyl-amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-[(2-amino-3-mercaptopropyl)-methylamino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-[(2-amino-3-sulfanylpropyl)-methylamino]-3-methylbutanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-[(2-amino-3-mercapto-propyl)-methyl-amino]-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-12(2)18(22(3)9-14(20)11-25)19(24)17-16-7-5-4-6-13(16)8-15(10-23)21-17/h4-7,10,12,14-15,17-18,21,25H,8-9,11,20H2,1-3H3