N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15N3O4S/c1-10-4-3-5-11(8-10)15(20)18-16(24)17-13-9-12(19(21)22)6-7-14(13)23-2/h3-9H,1-2H3,(H2,17,18,20,24)