N-(furan-2-ylmethyl)-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-furylmethyl)-4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-furanylmethyl)-4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-furfuryl)-4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H21N3O3S/c1-16-4-6-17(7-5-16)8-13-21(27)26-23(30)25-19-11-9-18(10-12-19)22(28)24-15-20-3-2-14-29-20/h2-14H,15H2,1H3,(H,24,28)(H2,25,26,27,30)/b13-8+