2-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[4-(2-naphthyl)thiazol-2-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[[4-(2-naphthalenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[4-(2-naphthyl)thiazol-2-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H16N4O3S2/c1-13-17(7-4-8-19(13)26(28)29)20(27)24-21(30)25-22-23-18(12-31-22)16-10-9-14-5-2-3-6-15(14)11-16/h2-12H,1H3,(H2,23,24,25,27,30)