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

Systemtic Name: 1-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-1-(2-dimethylaminoethyl)-3-ethyl-thiourea Openeye Name: 1-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-ethyl-thiourea CAS Name: 1-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-1-(2-dimethylaminoethyl)-3-ethylthiourea IUPAC Name: 1-[(2-benzylsulfonyl-3-cyclopropylimidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-ethylthiourea Traditional Name: 1-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]-1-(2-dimethylaminoethyl)-3-ethyl-thiourea Formula: C21H31N5O2S2 MolecularWeight: 449.63314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S2/c1-4-22-20(29)25(13-12-24(2)3)15-19-14-23-21(26(19)18-10-11-18)30(27,28)16-17-8-6-5-7-9-17/h5-9,14,18H,4,10-13,15-16H2,1-3H3,(H,22,29)