4-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C21H31ClN4O3S MolecularWeight: 455.01384

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H31ClN4O3S/c1-4-24(5-2)21(29)26-13-11-25(12-14-26)20(28)18(10-15-30-3)23-19(27)16-8-6-7-9-17(16)22/h6-9,18H,4-5,10-15H2,1-3H3,(H,23,27)