propyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C18H26N2O4S/c1-3-5-12-23-15-8-6-7-14(13-15)19-18(25)20-16(21)9-10-17(22)24-11-4-2/h6-8,13H,3-5,9-12H2,1-2H3,(H2,19,20,21,25)