N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H20N4O4S.ClH/c25-19(15-4-3-5-16(14-15)24(26)27)23(9-8-22-10-12-28-13-11-22)20-21-17-6-1-2-7-18(17)29-20;/h1-7,14H,8-13H2;1H