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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Cl

InChI

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