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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]benzamide Formula: C18H15BrClN3OS2 MolecularWeight: 468.8182

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClN3OS2/c1-9-2-4-11-13(8-21)17(26-15(11)6-9)23-18(25)22-16(24)12-7-10(19)3-5-14(12)20/h3,5,7,9H,2,4,6H2,1H3,(H2,22,23,24,25)/t9-/m0/s1