N-[(4-butoxyphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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