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

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5OS/c1-13-2-4-14(5-3-13)20(28)24-21(29)23-16-8-11-18-19(12-16)26-27(25-18)17-9-6-15(22)7-10-17/h2-12H,1H3,(H2,23,24,28,29)