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

Systemtic Name: 4-butoxy-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-2-3-12-26-15-10-8-14(9-11-15)19(25)23-21(27)24-20-17(13-22)16-6-4-5-7-18(16)28-20/h8-11H,2-7,12H2,1H3,(H2,23,24,25,27)