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

Systemtic Name: N-[(1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-allyl-2-hydroxy-1-(2-methylsulfanylethyl)pent-4-enyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-4-nitro-benzamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O4S2/c1-4-11-19(24,12-5-2)16(10-13-28-3)20-18(27)21-17(23)14-6-8-15(9-7-14)22(25)26/h4-9,16,24H,1-2,10-13H2,3H3,(H2,20,21,23,27)