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

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide hydrochloride Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide hydrochloride CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide hydrochloride Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-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=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O4S.ClH/c1-31-17-8-7-16(22)19-18(17)24-21(32-19)26(11-2-10-25-12-9-23-13-25)20(28)14-3-5-15(6-4-14)27(29)30;/h3-9,12-13H,2,10-11H2,1H3;1H