3-phenylpropyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methoxyphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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