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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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