N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(2-diethylaminoethyl)-4-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-(2-diethylaminoethyl)-4-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N4O3S2/c1-4-26(5-2)14-15-27(23(29)7-6-16-32-20-11-8-18(3)9-12-20)24-25-21-13-10-19(28(30)31)17-22(21)33-24/h8-13,17H,4-7,14-16H2,1-3H3