N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-pentoxy-benzamide hydrochloride

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-pentoxy-benzamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-pentoxy-benzamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-3-pentoxybenzamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-pentoxybenzamide hydrochloride Traditional Name: 3-amoxy-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide hydrochloride Formula: C27H33ClN4O2S MolecularWeight: 513.09452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N(CCCN2C=CN=C2)C3=NC4=C(S3)C=CC(=C4C)C.Cl

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N(CCCN2C=CN=C2)C3=NC4=C(S3)C=CC(=C4C)C.Cl

InChI

InChI=1S/C27H32N4O2S.ClH/c1-4-5-6-17-33-23-10-7-9-22(18-23)26(32)31(15-8-14-30-16-13-28-19-30)27-29-25-21(3)20(2)11-12-24(25)34-27;/h7,9-13,16,18-19H,4-6,8,14-15,17H2,1-3H3;1H