3-chloranyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H16ClN3OS3 MolecularWeight: 446.00854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3OS3/c21-16-12-7-4-5-9-15(12)27-17(16)18(25)23-20(26)24-19-13(10-22)11-6-2-1-3-8-14(11)28-19/h4-5,7,9H,1-3,6,8H2,(H2,23,24,25,26)