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

Systemtic Name: 1-[2-[(2-azanyl-3-sulfanyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[2-[(2-amino-3-sulfanyl-propyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[2-[(2-amino-3-mercaptopropyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[2-[(2-amino-3-sulfanylpropyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[2-[(2-amino-3-mercapto-propyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-10(18-7-12(17)9-22)16(21)15-14-5-3-2-4-11(14)6-13(8-20)19-15/h2-5,8,10,12-13,15,18-19,22H,6-7,9,17H2,1H3