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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbenzamide Traditional Name: 3-methyl-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-3-30-19-10-8-18(9-11-19)28-26-20-12-7-17(14-21(20)27-28)24-23(31)25-22(29)16-6-4-5-15(2)13-16/h4-14H,3H2,1-2H3,(H2,24,25,29,31)