N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S2/c1-25-12-6-7-13-14(8-12)28-17(18-13)20-16(27)19-15(22)9-26-11-4-2-10(3-5-11)21(23)24/h2-8H,9H2,1H3,(H2,18,19,20,22,27)