N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S/c1-16-7-10-19(26(28)29)15-21(16)24-23(31)25-22(27)18-8-11-20(12-9-18)30-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H2,24,25,27,31)