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

Systemtic Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-ethoxy-3-methyl-benzofuran-2-carbonyl)amino]thiourea CAS Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(5-ethoxy-3-methyl-benzofuran-2-carbonyl)amino]thiourea Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NNC(=S)NC3CCCC(C3C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)NNC(=S)N[C@H]3CCC[C@H]([C@@H]3C)C

InChI

InChI=1S/C21H29N3O3S/c1-5-26-15-9-10-18-16(11-15)14(4)19(27-18)20(25)23-24-21(28)22-17-8-6-7-12(2)13(17)3/h9-13,17H,5-8H2,1-4H3,(H,23,25)(H2,22,24,28)/t12-,13+,17+/m1/s1