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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H17N3OS2/c22-12-17-15-9-3-4-11-18(15)27-20(17)24-21(26)23-19(25)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H2,23,24,25,26)