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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H22ClN5O2S MolecularWeight: 528.02458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C28H22ClN5O2S/c1-17-14-24-25(33-34(32-24)21-12-13-26(36-2)22(29)15-21)16-23(17)30-28(37)31-27(35)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H2,30,31,35,37)