N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S2/c1-24(2)13-14-25(21(26)10-7-15-28-18-8-5-4-6-9-18)22-23-19-12-11-17(27-3)16-20(19)29-22/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3