N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O2S2/c1-5-18-8-6-9-21-23(18)25-24(31-21)27(16-7-15-26(2)3)22(28)14-17-30-20-12-10-19(29-4)11-13-20/h6,8-13H,5,7,14-17H2,1-4H3