1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-ethyl-3-methylsulfonyl-benzene

Systemtic Name: 1-[bis(azanyl)methylidene]-3-tert-butyl-urea; 1-ethyl-3-methylsulfonyl-benzene Openeye Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-ethyl-3-methylsulfonyl-benzene CAS Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-ethyl-3-methylsulfonylbenzene IUPAC Name: 1-tert-butyl-3-(diaminomethylidene)urea; 1-ethyl-3-methylsulfonylbenzene Traditional Name: 1-tert-butyl-3-(diaminomethylene)urea; 1-ethyl-3-mesyl-benzene Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)S(=O)(=O)C.CC(C)(C)NC(=O)N=C(N)N

Isomeric SMILES

CCC1=CC(=CC=C1)S(=O)(=O)C.CC(C)(C)NC(=O)N=C(N)N

InChI

InChI=1S/C9H12O2S.C6H14N4O/c1-3-8-5-4-6-9(7-8)12(2,10)11;1-6(2,3)10-5(11)9-4(7)8/h4-7H,3H2,1-2H3;1-3H3,(H5,7,8,9,10,11)