4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzenecarbothioamide

Systemtic Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzenecarbothioamide Openeye Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholinoethyl)benzenecarbothioamide CAS Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]benzenecarbothioamide IUPAC Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzenecarbothioamide Traditional Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-N-(2-morpholinoethyl)thiobenzamide Formula: C22H31N5OS2 MolecularWeight: 445.64444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=CC=C(C=C3)C(=S)NCCN4CCOCC4

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=CC=C(C=C3)C(=S)NCCN4CCOCC4

InChI

InChI=1S/C22H31N5OS2/c1-26-22(24-19-5-3-2-4-6-19)30-21(25-26)18-9-7-17(8-10-18)20(29)23-11-12-27-13-15-28-16-14-27/h7-10,19H,2-6,11-16H2,1H3,(H,23,29)