N-[(3-heptoxyphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-5-8-14-28-17-11-9-10-16(15-17)22-21(29)23-20(25)18-12-6-7-13-19(18)24(26)27/h6-7,9-13,15H,2-5,8,14H2,1H3,(H2,22,23,25,29)