N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylthio)butyramide Formula: C23H28ClN3O2S2 MolecularWeight: 478.07032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(C=CC(=C3S2)Cl)OC

InChI

InChI=1S/C23H28ClN3O2S2/c1-16-7-9-17(10-8-16)30-15-5-6-20(28)27(14-13-26(2)3)23-25-21-19(29-4)12-11-18(24)22(21)31-23/h7-12H,5-6,13-15H2,1-4H3