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

Systemtic Name: N-[[(3R)-1-methylsulfanyl-4-oxidanyl-4-prop-2-enyl-hept-6-en-3-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(1R)-2-allyl-2-hydroxy-1-(2-methylsulfanylethyl)pent-4-enyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(3R)-4-hydroxy-1-(methylthio)-4-prop-2-enylhept-6-en-3-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(3R)-4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(1R)-2-allyl-2-hydroxy-1-[2-(methylthio)ethyl]pent-4-enyl]thiocarbamoyl]-3-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(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O4S2/c1-4-10-19(24,11-5-2)16(9-12-28-3)20-18(27)21-17(23)14-7-6-8-15(13-14)22(25)26/h4-8,13,16,24H,1-2,9-12H2,3H3,(H2,20,21,23,27)/t16-/m1/s1