3-iodanyl-4-methoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methoxy-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-4-methoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20IN3O3S MolecularWeight: 509.36057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)I

InChI

InChI=1S/C20H20IN3O3S/c1-27-17-9-6-14(12-16(17)21)18(25)23-20(28)22-15-7-4-13(5-8-15)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H2,22,23,25,28)