N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

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