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

Systemtic Name: N-[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-hydroxy-5-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-3-11(2)12-8-9-16(22)14(10-12)19-18(26)20-17(23)13-6-4-5-7-15(13)21(24)25/h4-11,22H,3H2,1-2H3,(H2,19,20,23,26)/t11-/m0/s1