1-(4-methoxyphenyl)-3-[2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]phenyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]urea Traditional Name: 1-[2-[(5-keto-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]phenyl]-3-(4-methoxyphenyl)urea Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H20N4O4S/c1-30-16-12-10-15(11-13-16)24-23(29)25-18-7-3-5-9-20(18)32-14-21-26-27-22(28)17-6-2-4-8-19(17)31-21/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,29)