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

Systemtic Name: 3-[[(2S)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)benzamide dihydrochloride Openeye Name: 3-[[(2S)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)benzamide dihydrochloride CAS Name: 3-[[(2S)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)benzamide dihydrochloride IUPAC Name: 3-[[(2S)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)benzamide dihydrochloride Traditional Name: 3-[[(2S)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)benzamide dihydrochloride Formula: C18H25Cl2N3OS MolecularWeight: 402.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)NCC(CS)N)C.Cl.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=CC=C2)NC[C@@H](CS)N)C.Cl.Cl

InChI

InChI=1S/C18H23N3OS.2ClH/c1-12-5-3-8-17(13(12)2)21-18(22)14-6-4-7-16(9-14)20-10-15(19)11-23;;/h3-9,15,20,23H,10-11,19H2,1-2H3,(H,21,22);2*1H/t15-;;/m0../s1