2-bromanyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)thiocarbamoyl]benzamide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Br)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Br)C#N

InChI

InChI=1S/C19H18BrN3OS2/c20-15-9-6-5-8-13(15)17(24)22-19(25)23-18-14(11-21)12-7-3-1-2-4-10-16(12)26-18/h5-6,8-9H,1-4,7,10H2,(H2,22,23,24,25)