2-(2-methylphenoxy)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-methylphenoxy)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(2-methylphenoxy)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(2-methylphenoxy)-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenoxy)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(2-methylphenoxy)-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-10-4-2-3-5-13(10)25-9-15(22)19-16(26)20-17-18-12-7-6-11(21(23)24)8-14(12)27-17/h2-8H,9H2,1H3,(H2,18,19,20,22,26)