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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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