N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4S/c1-2-32-18-10-8-16(9-11-18)27-25-19-12-5-15(13-20(19)26-27)23-22(33)24-21(29)14-3-6-17(7-4-14)28(30)31/h3-13H,2H2,1H3,(H2,23,24,29,33)