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

Systemtic Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H34N2O2S2 MolecularWeight: 482.70106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H34N2O2S2/c1-4-21(27-13-17-10-18(14-27)12-19(11-17)15-27)28-26(32)29-24-23(25(30)31-3)22(16(2)33-24)20-8-6-5-7-9-20/h5-9,17-19,21H,4,10-15H2,1-3H3,(H2,28,29,32)