4-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpropyl)benzenecarbothioamide

Systemtic Name: 4-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpropyl)benzenecarbothioamide Openeye Name: 4-isobutoxy-N-(1-pyrrolidin-3-ylpropyl)benzenecarbothioamide CAS Name: 4-(2-methylpropoxy)-N-[1-(3-pyrrolidinyl)propyl]benzenecarbothioamide IUPAC Name: 4-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpropyl)benzenecarbothioamide Traditional Name: 4-isobutoxy-N-(1-pyrrolidin-3-ylpropyl)thiobenzamide Formula: C18H28N2OS MolecularWeight: 320.49272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCNC1)NC(=S)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCC(C1CCNC1)NC(=S)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C18H28N2OS/c1-4-17(15-9-10-19-11-15)20-18(22)14-5-7-16(8-6-14)21-12-13(2)3/h5-8,13,15,17,19H,4,9-12H2,1-3H3,(H,20,22)