N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S2/c1-3-27-11-5-6-12-15(9-11)29-18(19-12)21-17(28)20-16(23)10-4-7-14(26-2)13(8-10)22(24)25/h4-9H,3H2,1-2H3,(H2,19,20,21,23,28)