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

Systemtic Name: 1-[4-[(2-azanyl-3-sulfanyl-propyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Openeye Name: 1-[4-[(2-amino-3-sulfanyl-propyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde CAS Name: 1-[4-[(2-amino-3-mercaptopropyl)amino]-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxaldehyde IUPAC Name: 1-[4-[(2-amino-3-sulfanylpropyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Traditional Name: 1-[4-[(2-amino-3-mercapto-propyl)amino]butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)C(=O)CCCNCC(CS)N)C=O

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)C(=O)CCCNCC(CS)N)C=O

InChI

InChI=1S/C17H25N3O2S/c18-13(11-23)9-19-7-3-6-16(22)17-15-5-2-1-4-12(15)8-14(10-21)20-17/h1-2,4-5,10,13-14,17,19-20,23H,3,6-9,11,18H2