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

Systemtic Name: 4-chloranyl-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]benzamide Formula: C18H16ClN3OS2 MolecularWeight: 389.92214

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-10-2-7-13-14(9-20)17(25-15(13)8-10)22-18(24)21-16(23)11-3-5-12(19)6-4-11/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,24)/t10-/m0/s1