1-(azepan-1-yl)-3-(2,4,6-trimethylphenyl)sulfinyl-urea

Systemtic Name: 1-(azepan-1-yl)-3-(2,4,6-trimethylphenyl)sulfinyl-urea Openeye Name: 1-(azepan-1-yl)-3-(2,4,6-trimethylphenyl)sulfinyl-urea CAS Name: 1-(1-azepanyl)-3-(2,4,6-trimethylphenyl)sulfinylurea IUPAC Name: 1-(azepan-1-yl)-3-(2,4,6-trimethylphenyl)sulfinylurea Traditional Name: 1-(azepan-1-yl)-3-mesitylsulfinyl-urea Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)NC(=O)NN2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)NC(=O)NN2CCCCCC2)C

InChI

InChI=1S/C16H25N3O2S/c1-12-10-13(2)15(14(3)11-12)22(21)18-16(20)17-19-8-6-4-5-7-9-19/h10-11H,4-9H2,1-3H3,(H2,17,18,20)