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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4-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=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C22H26ClN3OS2/c1-16-9-11-17(12-10-16)28-15-5-8-20(27)26(14-13-25(2)3)22-24-21-18(23)6-4-7-19(21)29-22/h4,6-7,9-12H,5,8,13-15H2,1-3H3