4-azanyl-N-(1-cyclohexylpyrrolidin-3-yl)-N-methyl-benzenecarbothioamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-N-(1-cyclohexylpyrrolidin-3-yl)-N-methyl-benzenecarbothioamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methyl-benzenecarbothioamide; fumaric acid CAS Name: 4-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzenecarbothioamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methylbenzenecarbothioamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-N-(1-cyclohexylpyrrolidin-3-yl)-N-methyl-thiobenzamide; fumaric acid Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)C2CCCCC2)C(=S)C3=CC=C(C=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(C1)C2CCCCC2)C(=S)C3=CC=C(C=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27N3S.C4H4O4/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h7-10,16-17H,2-6,11-13,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+