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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-methoxybenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-methoxy-benzamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

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