(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-10(24-14-6-4-13(5-7-14)20(22)23)17(21)19-12-3-8-15-16(9-12)25-11(2)18-15/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1