N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c26-19(15-8-7-9-16(14-15)25(28)29)23-21(30)22-18-11-4-3-10-17(18)20(27)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13H2,(H2,22,23,26,30)