2-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-5-(methylthio)benzamide Formula: C18H16ClN3OS3 MolecularWeight: 421.98714

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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)CCCC3)C#N

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H16ClN3OS3/c1-25-10-6-7-14(19)12(8-10)16(23)21-18(24)22-17-13(9-20)11-4-2-3-5-15(11)26-17/h6-8H,2-5H2,1H3,(H2,21,22,23,24)