N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[[ethyl(1-naphthalenyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C27H21N5O6S MolecularWeight: 543.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O6S/c1-2-30(24-9-5-7-17-6-3-4-8-23(17)24)26(34)18-10-12-20(13-11-18)28-27(39)29-25(33)19-14-21(31(35)36)16-22(15-19)32(37)38/h3-16H,2H2,1H3,(H2,28,29,33,39)