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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C26H35N3O3S2 MolecularWeight: 501.7044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S2/c1-5-28(6-2)17-18-29(26-27-25-22(32-7-3)10-8-11-23(25)34-26)24(30)12-9-19-33-21-15-13-20(31-4)14-16-21/h8,10-11,13-16H,5-7,9,12,17-19H2,1-4H3