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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-(phenylthio)butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-(phenylthio)butyramide Formula: C24H31N3OS3 MolecularWeight: 473.71744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C24H31N3OS3/c1-4-26(5-2)16-17-27(22(28)15-10-18-30-19-11-7-6-8-12-19)24-25-23-20(29-3)13-9-14-21(23)31-24/h6-9,11-14H,4-5,10,15-18H2,1-3H3