(2,4,6-trimethylcyclohexyl) 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: (2,4,6-trimethylcyclohexyl) 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: (2,4,6-trimethylcyclohexyl) 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-phenyl-1H-pyrrole-3-carboxylic acid (2,4,6-trimethylcyclohexyl) ester IUPAC Name: (2,4,6-trimethylcyclohexyl) 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-(carbethoxythiocarbamoylamino)-4-phenyl-1H-pyrrole-3-carboxylic acid (2,4,6-trimethylcyclohexyl) ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C(=CN1)C2=CC=CC=C2)C(=O)OC3C(CC(CC3C)C)C

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C(=CN1)C2=CC=CC=C2)C(=O)OC3C(CC(CC3C)C)C

InChI

InChI=1S/C24H31N3O4S/c1-5-30-24(29)27-23(32)26-21-19(18(13-25-21)17-9-7-6-8-10-17)22(28)31-20-15(3)11-14(2)12-16(20)4/h6-10,13-16,20,25H,5,11-12H2,1-4H3,(H2,26,27,29,32)