N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN5O2S/c1-13-7-6-10-15(20(13)30-2)21(29)25-22(31)24-17-12-19-18(11-16(17)23)26-28(27-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H2,24,25,29,31)