N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3)C

InChI

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