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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl

InChI

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