N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide hydrochloride IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide hydrochloride Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide hydrochloride Formula: C21H19Cl2N5O4S MolecularWeight: 508.37766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H18ClN5O4S.ClH/c1-31-17-7-6-16(22)19-18(17)24-21(32-19)26(10-3-9-25-11-8-23-13-25)20(28)14-4-2-5-15(12-14)27(29)30;/h2,4-8,11-13H,3,9-10H2,1H3;1H