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

Systemtic Name: 1-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-1-(2-dimethylaminoethyl)-3-propan-2-yl-thiourea Openeye Name: 1-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-isopropyl-thiourea CAS Name: 1-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-1-(2-dimethylaminoethyl)-3-propan-2-ylthiourea IUPAC Name: 1-[(2-benzylsulfonyl-3-cyclopropylimidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-propan-2-ylthiourea Traditional Name: 1-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-isopropyl-thiourea Formula: C22H33N5O2S2 MolecularWeight: 463.65972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N(CCN(C)C)CC1=CN=C(N1C2CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=S)N(CCN(C)C)CC1=CN=C(N1C2CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N5O2S2/c1-17(2)24-21(30)26(13-12-25(3)4)15-20-14-23-22(27(20)19-10-11-19)31(28,29)16-18-8-6-5-7-9-18/h5-9,14,17,19H,10-13,15-16H2,1-4H3,(H,24,30)