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

Systemtic Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-14-4-2-5-16(12-14)20(26)24-21(28)23-17-9-7-15(8-10-17)19(25)22-13-18-6-3-11-27-18/h2-12H,13H2,1H3,(H,22,25)(H2,23,24,26,28)