N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN5OS/c1-13-3-4-15(11-14(13)2)21(29)25-22(30)24-17-7-10-19-20(12-17)27-28(26-19)18-8-5-16(23)6-9-18/h3-12H,1-2H3,(H2,24,25,29,30)