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

Systemtic Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: 2-methyl-N-[[2-[(1S)-1-methylpropyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-[(2S)-butan-2-yl]anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: 2-methyl-N-[[2-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O3S/c1-4-12(2)14-8-5-6-10-16(14)20-19(26)21-18(23)15-9-7-11-17(13(15)3)22(24)25/h5-12H,4H2,1-3H3,(H2,20,21,23,26)/t12-/m0/s1