N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[3-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[3-(butylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[3-(butylcarbamoyl)phenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C20H22IN3O3S MolecularWeight: 511.37645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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