N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]adamantane-1-carboxamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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