N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: 3-iodo-4-methoxy-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: 3-iodo-4-methoxy-N-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22IN3O3S MolecularWeight: 511.37645

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C20H22IN3O3S/c1-4-12(2)22-19(26)14-7-5-6-8-16(14)23-20(28)24-18(25)13-9-10-17(27-3)15(21)11-13/h5-12H,4H2,1-3H3,(H,22,26)(H2,23,24,25,28)