methyl 4-[3-imidazol-1-ylpropyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride

Systemtic Name: methyl 4-[3-imidazol-1-ylpropyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Openeye Name: methyl 4-[3-imidazol-1-ylpropyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride CAS Name: 4-[[3-(1-imidazolyl)propyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-imidazol-1-ylpropyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate hydrochloride Traditional Name: 4-[3-imidazol-1-ylpropyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester hydrochloride Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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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)C(=O)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4S.ClH/c1-16-5-10-19(31-2)20-21(16)33-24(26-20)28(13-4-12-27-14-11-25-15-27)22(29)17-6-8-18(9-7-17)23(30)32-3;/h5-11,14-15H,4,12-13H2,1-3H3;1H