methyl 4-[(4-propylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-propylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-propylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-propylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-propylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-propylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S/c1-3-5-12-7-9-13(10-8-12)17-15(20)16-11-4-6-14(18)19-2/h7-10H,3-6,11H2,1-2H3,(H2,16,17,20)