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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN(C1=NC2=CC=CC=C2S1)C(=O)CCCSC3=CC=C(C=C3)OC

InChI

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