N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide hydrochloride

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide hydrochloride Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-benzothiophene-2-carboxamide hydrochloride CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(1-imidazolyl)propyl]-5-nitro-1-benzothiophene-2-carboxamide hydrochloride IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide hydrochloride Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-benzothiophene-2-carboxamide hydrochloride Formula: C24H22ClN5O3S2 MolecularWeight: 528.04618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C.Cl

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN3C=CN=C3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C.Cl

InChI

InChI=1S/C24H21N5O3S2.ClH/c1-15-4-6-20-22(16(15)2)26-24(34-20)28(10-3-9-27-11-8-25-14-27)23(30)21-13-17-12-18(29(31)32)5-7-19(17)33-21;/h4-8,11-14H,3,9-10H2,1-2H3;1H