N-[3-(diethylamino)propyl]-3-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide

Systemtic Name: N-[3-(diethylamino)propyl]-3-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide Openeye Name: N-[3-(diethylamino)propyl]-3-methoxy-4-(p-tolylmethoxy)benzenecarbothioamide CAS Name: N-[3-(diethylamino)propyl]-3-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide IUPAC Name: N-[3-(diethylamino)propyl]-3-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioamide Traditional Name: N-[3-(diethylamino)propyl]-3-methoxy-4-(4-methylbenzyl)oxy-thiobenzamide Formula: C23H32N2O2S MolecularWeight: 400.57738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=S)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCN(CC)CCCNC(=S)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C23H32N2O2S/c1-5-25(6-2)15-7-14-24-23(28)20-12-13-21(22(16-20)26-4)27-17-19-10-8-18(3)9-11-19/h8-13,16H,5-7,14-15,17H2,1-4H3,(H,24,28)