3-iodanyl-4-methyl-N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]benzamide Openeye Name: N-[[2-allyl-2-hydroxy-1-(2-methylsulfanylethyl)pent-4-enyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H27IN2O2S2 MolecularWeight: 518.47505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC(CCSC)C(CC=C)(CC=C)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC(CCSC)C(CC=C)(CC=C)O)I

InChI

InChI=1S/C20H27IN2O2S2/c1-5-10-20(25,11-6-2)17(9-12-27-4)22-19(26)23-18(24)15-8-7-14(3)16(21)13-15/h5-8,13,17,25H,1-2,9-12H2,3-4H3,(H2,22,23,24,26)