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

Systemtic Name: methyl 4-[(4-tert-butylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-tert-butylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-tert-butylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-tert-butylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-16(2,3)12-7-9-13(10-8-12)18-15(21)17-11-5-6-14(19)20-4/h7-10H,5-6,11H2,1-4H3,(H2,17,18,21)