N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H16FN5O2S MolecularWeight: 421.447443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O2S/c1-29-17-9-2-13(3-10-17)20(28)24-21(30)23-15-6-11-18-19(12-15)26-27(25-18)16-7-4-14(22)5-8-16/h2-12H,1H3,(H2,23,24,28,30)