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

Systemtic Name: 3-chloranyl-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Traditional Name: 3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3OS2/c1-10-5-6-13-14(9-20)17(25-15(13)7-10)22-18(24)21-16(23)11-3-2-4-12(19)8-11/h2-4,8,10H,5-7H2,1H3,(H2,21,22,23,24)/t10-/m0/s1