[1-(2-azanyl-3-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone hydrochloride

Systemtic Name: [1-(2-azanyl-3-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone hydrochloride Openeye Name: [1-(2-amino-3-sulfanyl-propyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone hydrochloride CAS Name: [1-(2-amino-3-mercaptopropyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthalenyl)methanone hydrochloride IUPAC Name: [1-(2-amino-3-sulfanylpropyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone hydrochloride Traditional Name: [1-(2-amino-3-mercapto-propyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone hydrochloride Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2CN1C(=O)C3=CC=CC4=CC=CC=C43)CC(CS)N.Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2CN1C(=O)C3=CC=CC4=CC=CC=C43)CC(CS)N.Cl

InChI

InChI=1S/C23H25N3OS.ClH/c24-19(16-28)15-25-12-13-26(14-18-7-2-4-11-22(18)25)23(27)21-10-5-8-17-6-1-3-9-20(17)21;/h1-11,19,28H,12-16,24H2;1H