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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[(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=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

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