2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C=CC2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)/C=C/C2=CC=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S2/c1-13-16(12-14-6-3-2-4-7-14)29-20(18(13)19(22)26)24-21(28)23-17(25)10-9-15-8-5-11-27-15/h2-11H,12H2,1H3,(H2,22,26)(H2,23,24,25,28)/b10-9+