N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS2/c1-17-9-7-12-19-21(17)23-22(28-19)25(15-8-14-24(2)3)20(26)13-16-27-18-10-5-4-6-11-18/h4-7,9-12H,8,13-16H2,1-3H3