N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-2-26(19-8-4-3-5-9-19)22(29)16-11-13-18(14-12-16)24-23(32)25-21(28)17-7-6-10-20(15-17)27(30)31/h3-15H,2H2,1H3,(H2,24,25,28,32)