4-methoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H20N6O5S MolecularWeight: 492.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H20N6O5S/c1-13-10-18-19(27-28(26-18)15-5-7-16(33-2)8-6-15)12-17(13)24-23(35)25-22(30)14-4-9-21(34-3)20(11-14)29(31)32/h4-12H,1-3H3,(H2,24,25,30,35)