N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C23H20FN5OS MolecularWeight: 433.501203

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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=C2C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H20FN5OS/c1-13-4-5-16(10-14(13)2)22(30)26-23(31)25-19-12-21-20(11-15(19)3)27-29(28-21)18-8-6-17(24)7-9-18/h4-12H,1-3H3,(H2,25,26,30,31)