1-[6-(3-methoxy-4-oxidanyl-phenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)urea

Systemtic Name: 1-[6-(3-methoxy-4-oxidanyl-phenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)urea Openeye Name: 1-[6-(4-hydroxy-3-methoxy-phenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholino-2-oxo-ethyl)urea CAS Name: 1-[6-(4-hydroxy-3-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-morpholinyl)-2-oxoethyl]urea IUPAC Name: 1-[6-(4-hydroxy-3-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea Traditional Name: 1-[6-(4-hydroxy-3-methoxy-phenyl)-1,3-benzothiazol-2-yl]-3-(2-keto-2-morpholino-ethyl)urea Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCC(=O)N4CCOCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCC(=O)N4CCOCC4)O

InChI

InChI=1S/C21H22N4O5S/c1-29-17-10-13(3-5-16(17)26)14-2-4-15-18(11-14)31-21(23-15)24-20(28)22-12-19(27)25-6-8-30-9-7-25/h2-5,10-11,26H,6-9,12H2,1H3,(H2,22,23,24,28)