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

Systemtic Name: N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(4-chlorophenyl)thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C18H13ClN4O3S2 MolecularWeight: 432.90382

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O3S2/c1-10-13(3-2-4-15(10)23(25)26)16(24)21-17(27)22-18-20-14(9-28-18)11-5-7-12(19)8-6-11/h2-9H,1H3,(H2,20,21,22,24,27)