3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-pentyl-benzamide dihydrochloride

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-pentyl-benzamide dihydrochloride Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-pentyl-benzamide dihydrochloride CAS Name: 3-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-4-pentylbenzamide dihydrochloride IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-4-pentylbenzamide dihydrochloride Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propyl]amino]-4-amyl-N-(2,3-dimethylphenyl)benzamide dihydrochloride Formula: C23H35Cl2N3OS MolecularWeight: 472.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NCC(CS)N.Cl.Cl

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NC[C@H](CS)N.Cl.Cl

InChI

InChI=1S/C23H33N3OS.2ClH/c1-4-5-6-9-18-11-12-19(13-22(18)25-14-20(24)15-28)23(27)26-21-10-7-8-16(2)17(21)3;;/h7-8,10-13,20,25,28H,4-6,9,14-15,24H2,1-3H3,(H,26,27);2*1H/t20-;;/m1../s1