2-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-iodo-4-methyl-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-iodo-4-methylbenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-iodo-4-methyl-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C22H20IN3O2S2 MolecularWeight: 549.44757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)I

InChI

InChI=1S/C22H20IN3O2S2/c1-12-8-9-15(11-16(12)23)20(28)25-22(29)26-21-18(19(24)27)13(2)17(30-21)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H2,24,27)(H2,25,26,28,29)