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

Systemtic Name: 3-phenylpropyl 5-[(4-ethoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-ethoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-ethoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-(p-phenetylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-2-28-20-15-13-19(14-16-20)24-23(30)25-21(26)11-6-12-22(27)29-17-7-10-18-8-4-3-5-9-18/h3-5,8-9,13-16H,2,6-7,10-12,17H2,1H3,(H2,24,25,26,30)