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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-3-4-6-13-8-10-14(11-9-13)18-16(21)17-12-5-7-15(19)20-2/h8-11H,3-7,12H2,1-2H3,(H2,17,18,21)