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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C23H20ClN5O3S MolecularWeight: 481.9546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H20ClN5O3S/c1-3-32-17-6-4-5-14(11-17)22(30)26-23(33)25-15-7-9-19-20(12-15)28-29(27-19)16-8-10-21(31-2)18(24)13-16/h4-13H,3H2,1-2H3,(H2,25,26,30,33)