N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O3S2/c1-10-7-11(2)16-14(8-10)25-17(19-16)18-15(21)9-24-13-5-3-12(4-6-13)20(22)23/h3-8H,9H2,1-2H3,(H,18,19,21)