N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methyl-benzamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methyl-benzamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2-methylbenzamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-2-methyl-benzamide Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C19H19N3OS2/c1-12-7-5-6-8-13(12)17(23)21-19(24)22-18-15(11-20)14-9-3-2-4-10-16(14)25-18/h5-8H,2-4,9-10H2,1H3,(H2,21,22,23,24)