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

Systemtic Name: 1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]-3-propan-2-yl-1-prop-2-enyl-urea Openeye Name: 1-allyl-1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-isopropyl-urea CAS Name: 1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-4-imidazolyl]methyl]-3-propan-2-yl-1-prop-2-enylurea IUPAC Name: 1-[(2-benzylsulfonyl-3-prop-2-enylimidazol-4-yl)methyl]-3-propan-2-yl-1-prop-2-enylurea Traditional Name: 1-allyl-1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-isopropyl-urea Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-5-12-24(20(26)23-17(3)4)15-19-14-22-21(25(19)13-6-2)29(27,28)16-18-10-8-7-9-11-18/h5-11,14,17H,1-2,12-13,15-16H2,3-4H3,(H,23,26)