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

Systemtic Name: 2-(1-adamantyl)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]acetamide Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3OS2/c1-13-2-3-17-18(12-24)21(29-19(17)4-13)26-22(28)25-20(27)11-23-8-14-5-15(9-23)7-16(6-14)10-23/h13-16H,2-11H2,1H3,(H2,25,26,27,28)