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

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@H](CC3)C)C#N

InChI

InChI=1S/C21H23N3O2S2/c1-3-10-26-15-7-5-14(6-8-15)19(25)23-21(27)24-20-17(12-22)16-9-4-13(2)11-18(16)28-20/h5-8,13H,3-4,9-11H2,1-2H3,(H2,23,24,25,27)/t13-/m0/s1