2-[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde

Systemtic Name: 2-[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde Openeye Name: 2-[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde CAS Name: 2-[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-1-carboxaldehyde IUPAC Name: 2-[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde Traditional Name: 2-[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2=CC=CC=C2C1C=O)NCC(CS)N

Isomeric SMILES

CC(C)C(C(=O)N1CCC2=CC=CC=C2C1C=O)NCC(CS)N

InChI

InChI=1S/C18H27N3O2S/c1-12(2)17(20-9-14(19)11-24)18(23)21-8-7-13-5-3-4-6-15(13)16(21)10-22/h3-6,10,12,14,16-17,20,24H,7-9,11,19H2,1-2H3