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

Systemtic Name: N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[[ethyl(1-naphthalenyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[ethyl(1-naphthyl)carbamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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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-]

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-]

InChI

InChI=1S/C27H22N4O4S/c1-2-30(24-12-6-8-18-7-3-4-11-23(18)24)26(33)19-13-15-21(16-14-19)28-27(36)29-25(32)20-9-5-10-22(17-20)31(34)35/h3-17H,2H2,1H3,(H2,28,29,32,36)