6-tert-butyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+