ethyl 2-(1-adamantylcarbonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O3S2/c1-2-30-22(28)20-19(18-6-4-3-5-7-18)14-32-21(20)26-24(31)27-23(29)25-11-15-8-16(12-25)10-17(9-15)13-25/h3-7,14-17H,2,8-13H2,1H3,(H2,26,27,29,31)