N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS2/c1-17-15-18(2)22-20(16-17)29-23(24-22)26(13-8-12-25(3)4)21(27)11-14-28-19-9-6-5-7-10-19/h5-7,9-10,15-16H,8,11-14H2,1-4H3