4-tert-butyl-2-(2-morpholin-4-ylethyl)benzenecarbothioic S-acid

Systemtic Name: 4-tert-butyl-2-(2-morpholin-4-ylethyl)benzenecarbothioic S-acid Openeye Name: 4-tert-butyl-2-(2-morpholinoethyl)benzenecarbothioic S-acid CAS Name: 4-tert-butyl-2-[2-(4-morpholinyl)ethyl]benzenecarbothioic S-acid IUPAC Name: 4-tert-butyl-2-(2-morpholin-4-ylethyl)benzenecarbothioic S-acid Traditional Name: 4-tert-butyl-2-(2-morpholinoethyl)thiobenzoic acid Formula: C17H25NO2S MolecularWeight: 307.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(=O)S)CCN2CCOCC2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)S)CCN2CCOCC2

InChI

InChI=1S/C17H25NO2S/c1-17(2,3)14-4-5-15(16(19)21)13(12-14)6-7-18-8-10-20-11-9-18/h4-5,12H,6-11H2,1-3H3,(H,19,21)