N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN5O2S/c1-29-17-9-2-13(3-10-17)20(28)24-21(30)23-15-6-11-18-19(12-15)26-27(25-18)16-7-4-14(22)5-8-16/h2-12H,1H3,(H2,23,24,28,30)