[(1S,3R)-3-methyl-3-propan-2-yl-cyclohexyl] (E)-3-(carbamothioylamino)prop-2-enoate

Systemtic Name: [(1S,3R)-3-methyl-3-propan-2-yl-cyclohexyl] (E)-3-(carbamothioylamino)prop-2-enoate Openeye Name: [(1S,3R)-3-isopropyl-3-methyl-cyclohexyl] (E)-3-(carbamothioylamino)prop-2-enoate CAS Name: (E)-3-(carbamothioylamino)-2-propenoic acid [(1S,3R)-3-methyl-3-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methyl-3-propan-2-ylcyclohexyl] (E)-3-(carbamothioylamino)prop-2-enoate Traditional Name: (E)-3-thioureidoacrylic acid [(1S,3R)-3-isopropyl-3-methyl-cyclohexyl] ester Formula: C14H24N2O2S MolecularWeight: 284.41756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC(C1)OC(=O)C=CNC(=S)N)C

Isomeric SMILES

CC(C)[C@@]1(CCC[C@@H](C1)OC(=O)/C=C/NC(=S)N)C

InChI

InChI=1S/C14H24N2O2S/c1-10(2)14(3)7-4-5-11(9-14)18-12(17)6-8-16-13(15)19/h6,8,10-11H,4-5,7,9H2,1-3H3,(H3,15,16,19)/b8-6+/t11-,14+/m0/s1