N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H18IN3O3S MolecularWeight: 519.35539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3)I

InChI

InChI=1S/C21H18IN3O3S/c1-13-4-5-15(11-18(13)22)20(27)25-21(29)24-16-8-6-14(7-9-16)19(26)23-12-17-3-2-10-28-17/h2-11H,12H2,1H3,(H,23,26)(H2,24,25,27,29)