(E)-but-2-enedioic acid; 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-chlorophenyl)thio]-N-(2-dimethylaminoethyl)-1-piperidinecarboxamide IUPAC Name: (E)-but-2-enedioic acid; 4-(4-chlorophenyl)sulfanyl-N-(2-dimethylaminoethyl)piperidine-1-carboxamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(2-dimethylaminoethyl)piperidine-1-carboxamide; fumaric acid Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)N1CCC(CC1)SC2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)N1CCC(CC1)SC2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24ClN3OS.C4H4O4/c1-19(2)12-9-18-16(21)20-10-7-15(8-11-20)22-14-5-3-13(17)4-6-14;5-3(6)1-2-4(7)8/h3-6,15H,7-12H2,1-2H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+