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

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Openeye Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride CAS Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride Traditional Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S.ClH/c1-4-23(5-2)11-12-24(20(26)15-7-6-8-16(13-15)25(27)28)21-22-18-10-9-17(29-3)14-19(18)30-21;/h6-10,13-14H,4-5,11-12H2,1-3H3;1H