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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H23N3O2S2/c1-2-3-11-26-15-8-6-7-14(12-15)19(25)23-21(27)24-20-17(13-22)16-9-4-5-10-18(16)28-20/h6-8,12H,2-5,9-11H2,1H3,(H2,23,24,25,27)