N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide hydrochloride Formula: C20H20Cl2N4O4S MolecularWeight: 483.3682

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H19ClN4O4S.ClH/c21-15-4-5-17-18(13-15)30-20(22-17)24(7-6-23-8-10-29-11-9-23)19(26)14-2-1-3-16(12-14)25(27)28;/h1-5,12-13H,6-11H2;1H