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

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-2-[2-(methylamino)propyl]-3-sulfanyl-1,4-dihydroisoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-2-[2-(methylamino)propyl]-3-sulfanyl-1,4-dihydroisoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-3-mercapto-2-[2-(methylamino)propyl]-1,4-dihydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-2-[2-(methylamino)propyl]-3-sulfanyl-1,4-dihydroisoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-3-mercapto-2-[2-(methylamino)propyl]-1,4-dihydroisoquinoline-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(N1CC(C)NC)(C=O)S)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1CC(C)NC)(C=O)S)N

InChI

InChI=1S/C19H29N3O2S/c1-12(2)16(20)18(24)17-15-8-6-5-7-14(15)9-19(25,11-23)22(17)10-13(3)21-4/h5-8,11-13,16-17,21,25H,9-10,20H2,1-4H3