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

Systemtic Name: 3-bromanyl-4-methoxy-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-bromo-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C20H27BrN2O3S2 MolecularWeight: 487.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC(CCSC)C(CC=C)(CC=C)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC(CCSC)C(CC=C)(CC=C)O)Br

InChI

InChI=1S/C20H27BrN2O3S2/c1-5-10-20(25,11-6-2)17(9-12-28-4)22-19(27)23-18(24)14-7-8-16(26-3)15(21)13-14/h5-8,13,17,25H,1-2,9-12H2,3-4H3,(H2,22,23,24,27)