2-(1-adamantyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]acetamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H27N3OS2/c23-12-17-16-3-1-2-4-18(16)28-20(17)25-21(27)24-19(26)11-22-8-13-5-14(9-22)7-15(6-13)10-22/h13-15H,1-11H2,(H2,24,25,26,27)