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

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-furamide Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H15N3O2S2/c1-9-4-5-10-11(8-17)15(23-13(10)7-9)19-16(22)18-14(20)12-3-2-6-21-12/h2-3,6,9H,4-5,7H2,1H3,(H2,18,19,20,22)/t9-/m0/s1