tert-butyl 4-[(4-butylphenyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(4-butylphenyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(4-butylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-butylanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-butylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-butylphenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2S/c1-5-6-8-15-10-12-16(13-11-15)21-18(24)20-14-7-9-17(22)23-19(2,3)4/h10-13H,5-9,14H2,1-4H3,(H2,20,21,24)