(2R)-N-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c1-10(23-12-8-6-11(7-9-12)19(21)22)15(20)18-16-17-13-4-2-3-5-14(13)24-16/h2-10H,1H3,(H,17,18,20)/t10-/m1/s1