N-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(6R)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: N-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-4-iodo-2-methyl-pyrazole-3-carboxamide Formula: C16H18IN5O2S2 MolecularWeight: 503.38089

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=C(C=NN3C)I

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=C(C=NN3C)I

InChI

InChI=1S/C16H18IN5O2S2/c1-7-3-4-8-10(5-7)26-15(11(8)13(18)23)21-16(25)20-14(24)12-9(17)6-19-22(12)2/h6-7H,3-5H2,1-2H3,(H2,18,23)(H2,20,21,24,25)/t7-/m1/s1