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

Systemtic Name: 3-phenylpropyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methoxyphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-26-18-11-9-17(10-12-18)22-21(28)23-19(24)13-14-20(25)27-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,22,23,24,28)