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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-propoxy-benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H21N3O2S2/c1-2-11-25-16-9-5-3-8-14(16)18(24)22-20(26)23-19-15(12-21)13-7-4-6-10-17(13)27-19/h3,5,8-9H,2,4,6-7,10-11H2,1H3,(H2,22,23,24,26)