N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C.Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C22H21N5O3S.ClH/c1-15-7-8-19-20(16(15)2)24-22(31-19)26(11-4-10-25-12-9-23-14-25)21(28)17-5-3-6-18(13-17)27(29)30;/h3,5-9,12-14H,4,10-11H2,1-2H3;1H