ethyl 4-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)-2-(o-anisoylamino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H29N3O5S/c1-4-28-20(26)23-12-10-22(11-13-23)19(25)16(9-14-29-3)21-18(24)15-7-5-6-8-17(15)27-2/h5-8,16H,4,9-14H2,1-3H3,(H,21,24)