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

Systemtic Name: 6-tert-butyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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=CC=CO3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H25N3O3S2/c1-21(2,3)12-6-8-14-15(11-12)29-19(17(14)18(22)26)24-20(28)23-16(25)9-7-13-5-4-10-27-13/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H2,22,26)(H2,23,24,25,28)/b9-7+