ethyl 2-[(4-butyl-2-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-butyl-2-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-butyl-2-methyl-phenyl)carbamoylamino]propanoate CAS Name: 2-[[(4-butyl-2-methylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-butyl-2-methylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-butyl-2-methyl-phenyl)carbamoylamino]propionic acid ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C24H32N2O3S/c1-4-6-10-19-13-14-21(18(3)15-19)25-24(28)26-22(23(27)29-5-2)17-30-16-20-11-8-7-9-12-20/h7-9,11-15,22H,4-6,10,16-17H2,1-3H3,(H2,25,26,28)