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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylsulfanyl-acetamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(phenylthio)acetamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenylsulfanylacetamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(phenylthio)acetamide Formula: C21H24ClN3OS2 MolecularWeight: 434.01776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3OS2/c1-15-12-16(22)13-18-20(15)23-21(28-18)25(11-7-10-24(2)3)19(26)14-27-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3