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

Systemtic Name: 5-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl)C#N

InChI

InChI=1S/C21H16ClN3OS2/c22-17-9-4-6-12-13(17)7-3-8-15(12)19(26)24-21(27)25-20-16(11-23)14-5-1-2-10-18(14)28-20/h3-4,6-9H,1-2,5,10H2,(H2,24,25,26,27)