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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S2/c1-3-5-6-13-7-9-15-18(11-13)31-21(22-15)24-20(30)23-19(26)14-8-10-17(29-4-2)16(12-14)25(27)28/h7-12H,3-6H2,1-2H3,(H2,22,23,24,26,30)