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

Systemtic Name: N-[3-(dimethylamino)propyl]-4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-4-(ethylthio)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-4-(ethylthio)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C22H27N3OS2/c1-5-27-18-12-10-17(11-13-18)21(26)25(15-7-14-24(3)4)22-23-20-16(2)8-6-9-19(20)28-22/h6,8-13H,5,7,14-15H2,1-4H3