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

Systemtic Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c1-11-5-7-12(8-6-11)15-10-27-18(19-15)21-17(26)20-16(23)13-3-2-4-14(9-13)22(24)25/h2-10H,1H3,(H2,19,20,21,23,26)