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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide hydrochloride Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide hydrochloride CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide hydrochloride Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide hydrochloride Formula: C21H19Cl2N5O3S MolecularWeight: 492.37826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3S.ClH/c1-14-17(22)7-8-18-19(14)24-21(31-18)26(11-2-10-25-12-9-23-13-25)20(28)15-3-5-16(6-4-15)27(29)30;/h3-9,12-13H,2,10-11H2,1H3;1H