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

Systemtic Name: propyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-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=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

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

InChI

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