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

Systemtic Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-ethylbenzamide Traditional Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-ethyl-benzamide Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

InChI

InChI=1S/C23H27N3OS2/c1-5-14-6-8-15(9-7-14)20(27)25-22(28)26-21-18(13-24)17-11-10-16(23(2,3)4)12-19(17)29-21/h6-9,16H,5,10-12H2,1-4H3,(H2,25,26,27,28)