(2S)-N-(4-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(p-tolyl)propionamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-10-3-5-12(6-4-10)18-16(21)11(2)24-17-19-14-8-7-13(20(22)23)9-15(14)25-17/h3-9,11H,1-2H3,(H,18,21)/t11-/m0/s1