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

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-naphthamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3OS2/c1-13-6-9-17-18(12-23)21(28-19(17)10-13)25-22(27)24-20(26)16-8-7-14-4-2-3-5-15(14)11-16/h2-5,7-8,11,13H,6,9-10H2,1H3,(H2,24,25,26,27)/t13-/m0/s1