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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O4S/c1-4-34-17-10-8-16(9-11-17)29-27-20-12-14(2)19(13-21(20)28-29)25-24(35)26-23(31)18-6-5-7-22(15(18)3)30(32)33/h5-13H,4H2,1-3H3,(H2,25,26,31,35)