ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylmethylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylmethylthiocarbamoylamino)-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)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O2S2/c1-2-30-24(29)22-12-21(11-17-6-4-3-5-7-17)32-23(22)28-25(31)27-16-26-13-18-8-19(14-26)10-20(9-18)15-26/h3-7,12,18-20H,2,8-11,13-16H2,1H3,(H2,27,28,31)