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

Systemtic Name: 2-chloranyl-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-5-(methylthio)benzamide Formula: C19H18ClN3OS3 MolecularWeight: 436.01372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H18ClN3OS3/c1-10-3-5-12-14(9-21)18(27-16(12)7-10)23-19(25)22-17(24)13-8-11(26-2)4-6-15(13)20/h4,6,8,10H,3,5,7H2,1-2H3,(H2,22,23,24,25)/t10-/m1/s1