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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride Openeye Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride CAS Name: N-[3-(1-imidazolyl)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide hydrochloride IUPAC Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide hydrochloride Traditional Name: N-(3-imidazol-1-ylpropyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide hydrochloride Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN3C=CN=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H21N5O4S.ClH/c1-15-4-9-18(31-2)19-20(15)32-22(24-19)26(12-3-11-25-13-10-23-14-25)21(28)16-5-7-17(8-6-16)27(29)30;/h4-10,13-14H,3,11-12H2,1-2H3;1H