N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C29H32N4OS3 MolecularWeight: 548.78558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS3/c1-18(36-22-12-8-11-21(16-22)32-28(35)31-20-9-6-5-7-10-20)26(34)33-27-24(17-30)23-14-13-19(29(2,3)4)15-25(23)37-27/h5-12,16,18-19H,13-15H2,1-4H3,(H,33,34)(H2,31,32,35)