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

Systemtic Name: N-[[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S2/c1-8-3-4-9-11(7-8)25-15(12(9)13(17)22)19-16(24)18-14(23)10-5-6-21(2)20-10/h5-6,8H,3-4,7H2,1-2H3,(H2,17,22)(H2,18,19,23,24)/t8-/m0/s1