1-[6-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenyl-urea hydrochloride

Systemtic Name: 1-[6-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenyl-urea hydrochloride Openeye Name: 1-[6-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenyl-urea hydrochloride CAS Name: 1-[6-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenylurea hydrochloride IUPAC Name: 1-[6-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenylurea hydrochloride Traditional Name: 1-[6-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]hexyl]-3-phenyl-urea hydrochloride Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

InChI

InChI=1S/C22H28N4O3S.ClH/c27-18-11-10-16(20-19(18)26-22(29)30-20)12-15-23-13-6-1-2-7-14-24-21(28)25-17-8-4-3-5-9-17;/h3-5,8-11,23,27H,1-2,6-7,12-15H2,(H,26,29)(H2,24,25,28);1H