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

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-3-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

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