ethyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)butylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H38N2O2S2 MolecularWeight: 510.75422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C29H38N2O2S2/c1-4-9-23(29-15-19-12-20(16-29)14-21(13-19)17-29)30-28(34)31-26-25(27(32)33-5-2)24(18(3)35-26)22-10-7-6-8-11-22/h6-8,10-11,19-21,23H,4-5,9,12-17H2,1-3H3,(H2,30,31,34)