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

Systemtic Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[(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=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O3S/c23-17-8-3-15(4-9-17)5-12-20(27)26-22(30)25-18-10-6-16(7-11-18)21(28)24-14-19-2-1-13-29-19/h1-13H,14H2,(H,24,28)(H2,25,26,27,30)/b12-5+