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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-4-(p-tolylthio)butyramide Formula: C24H31N3OS2 MolecularWeight: 441.65244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3OS2/c1-4-26(5-2)16-17-27(24-25-21-9-6-7-10-22(21)30-24)23(28)11-8-18-29-20-14-12-19(3)13-15-20/h6-7,9-10,12-15H,4-5,8,11,16-18H2,1-3H3