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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4C

InChI

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