3-tert-butyl-1-(2-dimethylaminoethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]urea

Systemtic Name: 3-tert-butyl-1-(2-dimethylaminoethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]urea Openeye Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-tert-butyl-1-(2-dimethylaminoethyl)urea CAS Name: 3-tert-butyl-1-(2-dimethylaminoethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-4-imidazolyl]methyl]urea IUPAC Name: 1-[(2-benzylsulfonyl-3-prop-2-enylimidazol-4-yl)methyl]-3-tert-butyl-1-(2-dimethylaminoethyl)urea Traditional Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-tert-butyl-1-(2-dimethylaminoethyl)urea Formula: C23H35N5O3S MolecularWeight: 461.6207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCN(C)C)CC1=CN=C(N1CC=C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)N(CCN(C)C)CC1=CN=C(N1CC=C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H35N5O3S/c1-7-13-28-20(17-27(15-14-26(5)6)21(29)25-23(2,3)4)16-24-22(28)32(30,31)18-19-11-9-8-10-12-19/h7-12,16H,1,13-15,17-18H2,2-6H3,(H,25,29)