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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylsulfanyl-propanamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylsulfanyl-propanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylsulfanylpropanamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(phenylthio)propionamide Formula: C22H26ClN3OS2 MolecularWeight: 448.04434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)CCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)CCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3OS2/c1-16-14-17(23)15-19-21(16)24-22(29-19)26(12-7-11-25(2)3)20(27)10-13-28-18-8-5-4-6-9-18/h4-6,8-9,14-15H,7,10-13H2,1-3H3