N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O2S2/c1-5-18-7-12-21-22(17-18)31-24(25-21)27(15-6-14-26(2)3)23(28)13-16-30-20-10-8-19(29-4)9-11-20/h7-12,17H,5-6,13-16H2,1-4H3