4-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H18N6O5S MolecularWeight: 478.48052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O5S/c1-32-16-7-5-15(6-8-16)27-25-17-9-4-14(12-18(17)26-27)23-22(34)24-21(29)13-3-10-20(33-2)19(11-13)28(30)31/h3-12H,1-2H3,(H2,23,24,29,34)