1-(2,6-dimethylphenyl)-3-[3-(propan-2-ylamino)propyl]urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[3-(propan-2-ylamino)propyl]urea; 4-methylbenzenesulfonic acid Openeye Name: 1-(2,6-dimethylphenyl)-3-[3-(isopropylamino)propyl]urea; 4-methylbenzenesulfonic acid CAS Name: 1-(2,6-dimethylphenyl)-3-[3-(propan-2-ylamino)propyl]urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-(2,6-dimethylphenyl)-3-[3-(propan-2-ylamino)propyl]urea; 4-methylbenzenesulfonic acid Traditional Name: 1-(2,6-dimethylphenyl)-3-[3-(isopropylamino)propyl]urea; tosylic acid Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(=CC=C1)C)NC(=O)NCCCNC(C)C

InChI

InChI=1S/C15H25N3O.C7H8O3S/c1-11(2)16-9-6-10-17-15(19)18-14-12(3)7-5-8-13(14)4;1-6-2-4-7(5-3-6)11(8,9)10/h5,7-8,11,16H,6,9-10H2,1-4H3,(H2,17,18,19);2-5H,1H3,(H,8,9,10)