N-(4-hydroxyphenyl)-3-methyl-4-nitro-benzenecarbothioamide

Systemtic Name: N-(4-hydroxyphenyl)-3-methyl-4-nitro-benzenecarbothioamide Openeye Name: N-(4-hydroxyphenyl)-3-methyl-4-nitro-benzenecarbothioamide CAS Name: N-(4-hydroxyphenyl)-3-methyl-4-nitrobenzenecarbothioamide IUPAC Name: N-(4-hydroxyphenyl)-3-methyl-4-nitrobenzenecarbothioamide Traditional Name: N-(4-hydroxyphenyl)-3-methyl-4-nitro-thiobenzamide Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O3S/c1-9-8-10(2-7-13(9)16(18)19)14(20)15-11-3-5-12(17)6-4-11/h2-8,17H,1H3,(H,15,20)