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

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-5-6-14-28-19-12-10-17(11-13-19)22-21(29)23-20(25)16-8-7-9-18(15-16)24(26)27/h7-13,15H,2-6,14H2,1H3,(H2,22,23,25,29)