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

Systemtic Name: N-[[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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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)(C)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)(C)C)C#N

InChI

InChI=1S/C24H29N3O2S2/c1-5-12-29-17-9-6-15(7-10-17)21(28)26-23(30)27-22-19(14-25)18-11-8-16(24(2,3)4)13-20(18)31-22/h6-7,9-10,16H,5,8,11-13H2,1-4H3,(H2,26,27,28,30)/t16-/m1/s1