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

Systemtic Name: 3-chloranyl-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-4-methoxy-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C24H22ClN5O3S MolecularWeight: 495.98118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O3S/c1-4-33-17-8-6-16(7-9-17)30-28-20-11-14(2)19(13-21(20)29-30)26-24(34)27-23(31)15-5-10-22(32-3)18(25)12-15/h5-13H,4H2,1-3H3,(H2,26,27,31,34)