3-(4-methoxyphenyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-1-propan-2-yl-thiourea

Systemtic Name: 3-(4-methoxyphenyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-1-propan-2-yl-thiourea Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-1-isopropyl-3-(4-methoxyphenyl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-1-propan-2-ylthiourea IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(4-methoxyphenyl)-1-propan-2-ylthiourea Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-1-isopropyl-3-(4-methoxyphenyl)thiourea Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN(C(C)C)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN(C(C)C)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H34N4O3S2/c1-19(2)16-30-23(15-27-26(30)35(31,32)18-21-9-7-6-8-10-21)17-29(20(3)4)25(34)28-22-11-13-24(33-5)14-12-22/h6-15,19-20H,16-18H2,1-5H3,(H,28,34)