3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-propan-2-yl-phenyl)methyl]urea; methanesulfonic acid

Systemtic Name: 3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-propan-2-yl-phenyl)methyl]urea; methanesulfonic acid Openeye Name: 3-(diaminomethylene)-1-[(4-isopropyl-3-methylsulfonyl-phenyl)methyl]-1-methyl-urea; methanesulfonic acid CAS Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-propan-2-ylphenyl)methyl]urea; methanesulfonic acid IUPAC Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-propan-2-ylphenyl)methyl]urea; methanesulfonic acid Traditional Name: 3-(diaminomethylene)-1-(4-isopropyl-3-mesyl-benzyl)-1-methyl-urea; mesylic acid Formula: C15H26N4O6S2 MolecularWeight: 422.52014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)CN(C)C(=O)N=C(N)N)S(=O)(=O)C.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)CN(C)C(=O)N=C(N)N)S(=O)(=O)C.CS(=O)(=O)O

InChI

InChI=1S/C14H22N4O3S.CH4O3S/c1-9(2)11-6-5-10(7-12(11)22(4,20)21)8-18(3)14(19)17-13(15)16;1-5(2,3)4/h5-7,9H,8H2,1-4H3,(H4,15,16,17,19);1H3,(H,2,3,4)