3-[azanyl(3-sulfanylpropyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide dihydrochloride

Systemtic Name: 3-[azanyl(3-sulfanylpropyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide dihydrochloride Openeye Name: 3-[amino(3-sulfanylpropyl)amino]-N-tetralin-5-yl-benzamide dihydrochloride CAS Name: 3-[amino(3-mercaptopropyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide dihydrochloride IUPAC Name: 3-[amino(3-sulfanylpropyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide dihydrochloride Traditional Name: 3-[amino(3-mercaptopropyl)amino]-N-tetralin-5-yl-benzamide dihydrochloride Formula: C20H27Cl2N3OS MolecularWeight: 428.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=CC=C3)N(CCCS)N.Cl.Cl

Isomeric SMILES

C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=CC=C3)N(CCCS)N.Cl.Cl

InChI

InChI=1S/C20H25N3OS.2ClH/c21-23(12-5-13-25)17-9-3-8-16(14-17)20(24)22-19-11-4-7-15-6-1-2-10-18(15)19;;/h3-4,7-9,11,14,25H,1-2,5-6,10,12-13,21H2,(H,22,24);2*1H