(2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-amino-2-oxo-ethyl)-3-(3-chloro-4-methyl-phenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[(3-chloro-4-methylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-(3-chloro-4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-amino-2-keto-ethyl)-3-[(3-chloro-4-methyl-phenyl)thio]propionamide Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)NCC(=O)N)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)NCC(=O)N)NC(=O)C)Cl

InChI

InChI=1S/C14H18ClN3O3S/c1-8-3-4-10(5-11(8)15)22-7-12(18-9(2)19)14(21)17-6-13(16)20/h3-5,12H,6-7H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19)/t12-/m1/s1