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

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N6O4S/c1-13-4-5-15(11-21(13)29(31)32)22(30)25-23(34)24-18-12-20-19(10-14(18)2)26-28(27-20)16-6-8-17(33-3)9-7-16/h4-12H,1-3H3,(H2,24,25,30,34)