5-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-2-methyl-benzamide hydrochloride

Systemtic Name: 5-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-2-methyl-benzamide hydrochloride Openeye Name: 5-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-2-methyl-benzamide hydrochloride CAS Name: 5-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-2-methylbenzamide hydrochloride IUPAC Name: 5-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-2-methylbenzamide hydrochloride Traditional Name: 5-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)-2-methyl-benzamide hydrochloride Formula: C19H26ClN3OS MolecularWeight: 379.94724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS.ClH/c1-12-5-4-6-18(14(12)3)22-19(23)17-9-16(8-7-13(17)2)21-10-15(20)11-24;/h4-9,15,21,24H,10-11,20H2,1-3H3,(H,22,23);1H/t15-;/m1./s1