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

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-(2-thienyl)acetamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-thiophen-2-ylacetamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-(2-thienyl)acetamide Formula: C17H17N3OS3 MolecularWeight: 375.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CS3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C17H17N3OS3/c1-10-4-5-12-13(9-18)16(24-14(12)7-10)20-17(22)19-15(21)8-11-3-2-6-23-11/h2-3,6,10H,4-5,7-8H2,1H3,(H2,19,20,21,22)/t10-/m0/s1