3-iodanyl-4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(4-isopentyloxyphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-iodo-4-methyl-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(4-isoamoxyphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C20H23IN2O2S MolecularWeight: 482.37829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C)I

InChI

InChI=1S/C20H23IN2O2S/c1-13(2)10-11-25-17-8-6-16(7-9-17)22-20(26)23-19(24)15-5-4-14(3)18(21)12-15/h4-9,12-13H,10-11H2,1-3H3,(H2,22,23,24,26)