3-phenylpropyl 5-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H34N4O6S/c1-2-36-22-15-13-21(14-16-22)28-24(33)17-18-25(34)30-31-27(38)29-23(32)11-6-12-26(35)37-19-7-10-20-8-4-3-5-9-20/h3-5,8-9,13-16H,2,6-7,10-12,17-19H2,1H3,(H,28,33)(H,30,34)(H2,29,31,32,38)