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

Systemtic Name: 4-tert-butyl-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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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=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C27H29N5O2S/c1-6-34-21-13-11-20(12-14-21)32-30-23-15-17(2)22(16-24(23)31-32)28-26(35)29-25(33)18-7-9-19(10-8-18)27(3,4)5/h7-16H,6H2,1-5H3,(H2,28,29,33,35)