ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,6-diethylphenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCCCC(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NCCCC(=O)OCC

InChI

InChI=1S/C17H26N2O2S/c1-4-13-9-7-10-14(5-2)16(13)19-17(22)18-12-8-11-15(20)21-6-3/h7,9-10H,4-6,8,11-12H2,1-3H3,(H2,18,19,22)