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

Systemtic Name: 4-bromanyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide CAS Name: 4-bromo-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]benzamide Formula: C18H16BrN3OS2 MolecularWeight: 434.37314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3OS2/c19-12-8-6-11(7-9-12)16(23)21-18(24)22-17-14(10-20)13-4-2-1-3-5-15(13)25-17/h6-9H,1-5H2,(H2,21,22,23,24)