N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C24H31N3O3S3 MolecularWeight: 505.71624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S3/c1-4-26(5-2)15-16-27(23(28)12-9-17-31-19-10-7-6-8-11-19)24-25-21-14-13-20(33(3,29)30)18-22(21)32-24/h6-8,10-11,13-14,18H,4-5,9,12,15-17H2,1-3H3