N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide hydrochloride Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H22N4O4S.ClH/c1-4-28-16-8-9-17-18(13-16)29-20(21-17)23(11-10-22(2)3)19(25)14-6-5-7-15(12-14)24(26)27;/h5-9,12-13H,4,10-11H2,1-3H3;1H