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

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N)OCC

InChI

InChI=1S/C22H25N3O3S2/c1-4-27-15-9-14(10-16(11-15)28-5-2)20(26)24-22(29)25-21-18(12-23)17-7-6-13(3)8-19(17)30-21/h9-11,13H,4-8H2,1-3H3,(H2,24,25,26,29)