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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitrobenzamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitrobenzamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-nitro-benzamide hydrochloride Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C20H22N4O3S.ClH/c1-3-22(4-2)13-14-23(20-21-16-10-6-8-12-18(16)28-20)19(25)15-9-5-7-11-17(15)24(26)27;/h5-12H,3-4,13-14H2,1-2H3;1H