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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanylbutanamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butyramide Formula: C22H26ClN3OS2 MolecularWeight: 448.04434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCN(C)C)C(=O)CCCSC3=CC=CC=C3)Cl

InChI

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