1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea

Systemtic Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]thiourea CAS Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[(5-methoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]thiourea Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

InChI

InChI=1S/C20H27N3O3S/c1-11-6-5-7-16(12(11)2)21-20(27)23-22-19(24)18-13(3)15-10-14(25-4)8-9-17(15)26-18/h8-12,16H,5-7H2,1-4H3,(H,22,24)(H2,21,23,27)/t11-,12+,16+/m1/s1