ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(4-butyl-2-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-butyl-2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCCCC(=O)OCC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCCCC(=O)OCC)C

InChI

InChI=1S/C18H28N2O2S/c1-4-6-8-15-10-11-16(14(3)13-15)20-18(23)19-12-7-9-17(21)22-5-2/h10-11,13H,4-9,12H2,1-3H3,(H2,19,20,23)