N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[cyclohexyl(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[cyclohexyl(4-hydroxybutyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[cyclohexyl(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[cyclohexyl(4-hydroxybutyl)thiocarbamoyl]-3-nitro-benzamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O4S/c22-12-5-4-11-20(15-8-2-1-3-9-15)18(26)19-17(23)14-7-6-10-16(13-14)21(24)25/h6-7,10,13,15,22H,1-5,8-9,11-12H2,(H,19,23,26)