2-[1-(2-azanyl-3-sulfanyl-propyl)-2-methyl-pyrrolidin-2-yl]-1-(oxidanylidenemethylidene)-3,4-dihydroisoquinoline-3-carbaldehyde

Systemtic Name: 2-[1-(2-azanyl-3-sulfanyl-propyl)-2-methyl-pyrrolidin-2-yl]-1-(oxidanylidenemethylidene)-3,4-dihydroisoquinoline-3-carbaldehyde Openeye Name: 2-[1-(2-amino-3-sulfanyl-propyl)-2-methyl-pyrrolidin-2-yl]-1-(oxomethylene)-3,4-dihydroisoquinoline-3-carbaldehyde CAS Name: 2-[1-(2-amino-3-mercaptopropyl)-2-methyl-2-pyrrolidinyl]-1-(oxomethylidene)-3,4-dihydroisoquinoline-3-carboxaldehyde IUPAC Name: 2-[1-(2-amino-3-sulfanylpropyl)-2-methylpyrrolidin-2-yl]-1-(oxomethylidene)-3,4-dihydroisoquinoline-3-carbaldehyde Traditional Name: 2-[1-(2-amino-3-mercapto-propyl)-2-methyl-pyrrolidin-2-yl]-1-(ketomethylene)-3,4-dihydroisoquinoline-3-carbaldehyde Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1CC(CS)N)N2C(CC3=CC=CC=C3C2=C=O)C=O

Isomeric SMILES

CC1(CCCN1CC(CS)N)N2C(CC3=CC=CC=C3C2=C=O)C=O

InChI

InChI=1S/C19H25N3O2S/c1-19(7-4-8-21(19)10-15(20)13-25)22-16(11-23)9-14-5-2-3-6-17(14)18(22)12-24/h2-3,5-6,11,15-16,25H,4,7-10,13,20H2,1H3