3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[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=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CO3

Isomeric SMILES

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

InChI

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