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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C17H13ClN4O4S2 MolecularWeight: 436.89252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4S2/c1-2-26-12-7-6-9(8-11(12)22(24)25)15(23)20-16(27)21-17-19-14-10(18)4-3-5-13(14)28-17/h3-8H,2H2,1H3,(H2,19,20,21,23,27)