N-(2-diethylaminoethyl)-2-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-2-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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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)C3=CC=CC=C3SCC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3SCC

InChI

InChI=1S/C22H26N4O3S2/c1-4-24(5-2)13-14-25(21(27)17-9-7-8-10-19(17)30-6-3)22-23-18-12-11-16(26(28)29)15-20(18)31-22/h7-12,15H,4-6,13-14H2,1-3H3