N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylthio)butyramide Formula: C22H26ClN3OS2 MolecularWeight: 448.04434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3OS2/c1-16-6-9-18(10-7-16)28-14-4-5-21(27)26(13-12-25(2)3)22-24-19-11-8-17(23)15-20(19)29-22/h6-11,15H,4-5,12-14H2,1-3H3