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

Systemtic Name: 3-chloranyl-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C19H18ClN3OS2 MolecularWeight: 403.94872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3OS2/c1-10-3-6-13-14(9-21)18(26-16(13)7-10)23-19(25)22-17(24)12-5-4-11(2)15(20)8-12/h4-5,8,10H,3,6-7H2,1-2H3,(H2,22,23,24,25)/t10-/m0/s1