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

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide dihydrochloride Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide dihydrochloride CAS Name: 3-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-4-ethylbenzamide dihydrochloride IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-4-ethylbenzamide dihydrochloride Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)-4-ethyl-benzamide dihydrochloride Formula: C20H29Cl2N3OS MolecularWeight: 430.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NCC(CS)N.Cl.Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)NC[C@H](CS)N.Cl.Cl

InChI

InChI=1S/C20H27N3OS.2ClH/c1-4-15-8-9-16(10-19(15)22-11-17(21)12-25)20(24)23-18-7-5-6-13(2)14(18)3;;/h5-10,17,22,25H,4,11-12,21H2,1-3H3,(H,23,24);2*1H/t17-;;/m1../s1