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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H22N4O4S.ClH/c1-15-4-2-7-18-19(15)22-21(30-18)24(9-8-23-10-12-29-13-11-23)20(26)16-5-3-6-17(14-16)25(27)28;/h2-7,14H,8-13H2,1H3;1H