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

Systemtic Name: 2-chloranyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-5-(methylthio)benzamide Formula: C19H18ClN3OS3 MolecularWeight: 436.01372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C19H18ClN3OS3/c1-26-11-7-8-15(20)13(9-11)17(24)22-19(25)23-18-14(10-21)12-5-3-2-4-6-16(12)27-18/h7-9H,2-6H2,1H3,(H2,22,23,24,25)