methyl 2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-butylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-butylphenyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H26N2O3S/c1-4-5-6-13-7-9-14(10-8-13)18-17(21)19-15(11-12-23-3)16(20)22-2/h7-10,15H,4-6,11-12H2,1-3H3,(H2,18,19,21)