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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(p-tolylthio)propionamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCCN(C)C)C2=NC3=CC=CC=C3S2

InChI

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