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

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-naphthamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3OS2/c1-13-9-10-16-18(12-23)21(28-19(16)11-13)25-22(27)24-20(26)17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-11H2,1H3,(H2,24,25,26,27)