methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)ethylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O2S2/c1-13-4-5-18-19(6-13)30-21(20(18)22(27)28-3)26-23(29)25-14(2)24-10-15-7-16(11-24)9-17(8-15)12-24/h13-17H,4-12H2,1-3H3,(H2,25,26,29)