3-phenylpropyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-phenetylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-2-27-19-12-6-11-18(16-19)23-22(29)24-20(25)13-14-21(26)28-15-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,16H,2,7,10,13-15H2,1H3,(H2,23,24,25,29)