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

Systemtic Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c1-14-12-19-20(26-27(25-19)16-8-10-17(29-2)11-9-16)13-18(14)23-22(30)24-21(28)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,23,24,28,30)