N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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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=CC5=C(C=C4)OCCO5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C25H23N5O4S/c1-3-32-18-7-5-17(6-8-18)30-28-20-12-15(2)19(14-21(20)29-30)26-25(35)27-24(31)16-4-9-22-23(13-16)34-11-10-33-22/h4-9,12-14H,3,10-11H2,1-2H3,(H2,26,27,31,35)