3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]thiourea

Systemtic Name: 3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]thiourea Openeye Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-(4-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-4-imidazolyl]methyl]thiourea IUPAC Name: 1-[(2-benzylsulfonyl-3-prop-2-enylimidazol-4-yl)methyl]-3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-3-(4-methoxyphenyl)-1-(tetrahydrofurfuryl)thiourea Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CN=C(N3CC=C)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CN=C(N3CC=C)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4S2/c1-3-15-31-23(17-28-27(31)37(32,33)20-21-8-5-4-6-9-21)18-30(19-25-10-7-16-35-25)26(36)29-22-11-13-24(34-2)14-12-22/h3-6,8-9,11-14,17,25H,1,7,10,15-16,18-20H2,2H3,(H,29,36)