4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(1,1-dioxothiolane-3-carbonyl)-N-(p-tolylmethyl)piperazine-1-carboxamide CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-oxomethyl]-N-[(4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,1-dioxothiolane-3-carbonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(1,1-diketothiolane-3-carbonyl)-N-(4-methylbenzyl)piperazine-1-carboxamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C18H25N3O4S/c1-14-2-4-15(5-3-14)12-19-18(23)21-9-7-20(8-10-21)17(22)16-6-11-26(24,25)13-16/h2-5,16H,6-13H2,1H3,(H,19,23)