3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea

Systemtic Name: 3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea Openeye Name: 3-(diaminomethylene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea CAS Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea IUPAC Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea Traditional Name: 3-(diaminomethylene)-1-(3-mesyl-4-phenoxy-benzyl)-1-methyl-urea Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C)C(=O)N=C(N)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C)C(=O)N=C(N)N

InChI

InChI=1S/C17H20N4O4S/c1-21(17(22)20-16(18)19)11-12-8-9-14(15(10-12)26(2,23)24)25-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H4,18,19,20,22)