[4-[(2R)-2-azanyl-3-sulfanyl-propyl]-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone dihydrochloride

Systemtic Name: [4-[(2R)-2-azanyl-3-sulfanyl-propyl]-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone dihydrochloride Openeye Name: [4-[(2R)-2-amino-3-sulfanyl-propyl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone dihydrochloride CAS Name: [4-[(2R)-2-amino-3-mercaptopropyl]-1,4-diazepan-1-yl]-(1-naphthalenyl)methanone dihydrochloride IUPAC Name: [4-[(2R)-2-amino-3-sulfanylpropyl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone dihydrochloride Traditional Name: [4-[(2R)-2-amino-3-mercapto-propyl]-1,4-diazepan-1-yl]-(1-naphthyl)methanone dihydrochloride Formula: C19H27Cl2N3OS MolecularWeight: 416.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)CC(CS)N.Cl.Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C[C@H](CS)N.Cl.Cl

InChI

InChI=1S/C19H25N3OS.2ClH/c20-16(14-24)13-21-9-4-10-22(12-11-21)19(23)18-8-3-6-15-5-1-2-7-17(15)18;;/h1-3,5-8,16,24H,4,9-14,20H2;2*1H/t16-;;/m1../s1