ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O2S2 MolecularWeight: 468.67448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O2S2/c1-3-30-24(29)22-13-21(12-17-7-5-4-6-8-17)32-23(22)27-25(31)28(2)26-14-18-9-19(15-26)11-20(10-18)16-26/h4-8,13,18-20H,3,9-12,14-16H2,1-2H3,(H,27,31)