propyl 2-(1-adamantylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-(1-adamantylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-(adamantane-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(adamantane-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N2O3S2/c1-2-7-29-21(27)19-17-5-3-4-6-18(17)31-20(19)25-23(30)26-22(28)24-11-14-8-15(12-24)10-16(9-14)13-24/h14-16H,2-13H2,1H3,(H2,25,26,28,30)