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

Systemtic Name: 1-(cyclopropylmethyl)-3-ethyl-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-(cyclopropylmethyl)-3-ethyl-thiourea CAS Name: 1-(cyclopropylmethyl)-3-ethyl-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-(cyclopropylmethyl)-3-ethylthiourea Traditional Name: 1-[(3-allyl-2-benzylsulfonyl-imidazol-4-yl)methyl]-1-(cyclopropylmethyl)-3-ethyl-thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1CC1)CC2=CN=C(N2CC=C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=S)N(CC1CC1)CC2=CN=C(N2CC=C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S2/c1-3-12-25-19(15-24(14-17-10-11-17)20(28)22-4-2)13-23-21(25)29(26,27)16-18-8-6-5-7-9-18/h3,5-9,13,17H,1,4,10-12,14-16H2,2H3,(H,22,28)