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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N-(2-furfuryl)benzamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c23-17-9-6-15(7-10-17)8-11-20(27)26-22(30)25-18-4-1-3-16(13-18)21(28)24-14-19-5-2-12-29-19/h1-13H,14H2,(H,24,28)(H2,25,26,27,30)/b11-8+