1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)urea hydrochloride Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)NCCCN4C=CN=C4.Cl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)NCCCN4C=CN=C4.Cl

InChI

InChI=1S/C21H21N5O2S.ClH/c1-28-17-9-8-16(15-6-3-2-4-7-15)19-18(17)24-21(29-19)25-20(27)23-10-5-12-26-13-11-22-14-26;/h2-4,6-9,11,13-14H,5,10,12H2,1H3,(H2,23,24,25,27);1H