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

Systemtic Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 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: 2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H19N5O2S2 MolecularWeight: 389.49506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C17H19N5O2S2/c1-22-9-10(8-19-22)6-7-13(23)20-17(25)21-16-14(15(18)24)11-4-2-3-5-12(11)26-16/h6-9H,2-5H2,1H3,(H2,18,24)(H2,20,21,23,25)/b7-6+