N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 2-hexoxy-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]benzamide Formula: C26H34N4O5S MolecularWeight: 514.63696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C26H34N4O5S/c1-3-5-6-9-18-35-22-11-8-7-10-21(22)25(33)28-26(36)30-29-24(32)17-16-23(31)27-19-12-14-20(15-13-19)34-4-2/h7-8,10-15H,3-6,9,16-18H2,1-2H3,(H,27,31)(H,29,32)(H2,28,30,33,36)