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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-imidazol-4-yl]methyl]thiourea Openeye Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)-1-[[2-(phenylmethyl)sulfonyl-3-prop-2-enyl-4-imidazolyl]methyl]thiourea IUPAC Name: 1-[(2-benzylsulfonyl-3-prop-2-enylimidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)thiourea Formula: C26H33N5O3S2 MolecularWeight: 527.70192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CN=C(N1CC=C)S(=O)(=O)CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCN(CC1=CN=C(N1CC=C)S(=O)(=O)CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H33N5O3S2/c1-5-15-31-23(18-27-26(31)36(32,33)20-21-9-7-6-8-10-21)19-30(17-16-29(2)3)25(35)28-22-11-13-24(34-4)14-12-22/h5-14,18H,1,15-17,19-20H2,2-4H3,(H,28,35)