N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[(3-sec-butoxyphenyl)thiocarbamoyl]benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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