4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-N-(2-furfuryl)benzamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O3S/c22-16-7-3-14(4-8-16)12-19(26)25-21(29)24-17-9-5-15(6-10-17)20(27)23-13-18-2-1-11-28-18/h1-11H,12-13H2,(H,23,27)(H2,24,25,26,29)