N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O4S/c1-4-11(2)13-8-9-17(23)15(10-13)20-19(27)21-18(24)14-6-5-7-16(12(14)3)22(25)26/h5-11,23H,4H2,1-3H3,(H2,20,21,24,27)/t11-/m0/s1