N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Formula: C21H19Cl2N5O3S MolecularWeight: 492.37826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl.Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl.Cl

InChI

InChI=1S/C21H18ClN5O3S.ClH/c1-14-10-16(22)12-18-19(14)24-21(31-18)26(8-3-7-25-9-6-23-13-25)20(28)15-4-2-5-17(11-15)27(29)30;/h2,4-6,9-13H,3,7-8H2,1H3;1H