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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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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=C2Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18ClN5OS/c1-13-8-9-15(10-14(13)2)21(29)25-22(30)24-18-12-20-19(11-17(18)23)26-28(27-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,24,25,29,30)