1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea CAS Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(3-methylbenzofuran-2-carbonyl)amino]thiourea Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C19H25N3O2S/c1-11-7-6-9-15(12(11)2)20-19(25)22-21-18(23)17-13(3)14-8-4-5-10-16(14)24-17/h4-5,8,10-12,15H,6-7,9H2,1-3H3,(H,21,23)(H2,20,22,25)/t11-,12+,15+/m1/s1