N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S2/c1-5-27(6-2)16-17-28(22(29)13-10-18-31-20-11-8-7-9-12-20)25-26-23-21(30-4)15-14-19(3)24(23)32-25/h7-9,11-12,14-15H,5-6,10,13,16-18H2,1-4H3