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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC

InChI

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