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

Systemtic Name: 3-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-N-(2,3-dimethylphenyl)benzamide hydrochloride Openeye Name: 3-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-N-(2,3-dimethylphenyl)benzamide hydrochloride CAS Name: 3-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-N-(2,3-dimethylphenyl)benzamide hydrochloride IUPAC Name: 3-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-N-(2,3-dimethylphenyl)benzamide hydrochloride Traditional Name: 3-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-N-(2,3-dimethylphenyl)benzamide hydrochloride Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S.ClH/c1-11-5-3-8-16(12(11)2)21-17(22)13-6-4-7-14(9-13)20-18(23)15(19)10-24;/h3-9,15,24H,10,19H2,1-2H3,(H,20,23)(H,21,22);1H/t15-;/m0./s1