2-chloranyl-4-nitro-N-(4-phenylmethoxyphenyl)benzenecarbothioamide

Systemtic Name: 2-chloranyl-4-nitro-N-(4-phenylmethoxyphenyl)benzenecarbothioamide Openeye Name: N-(4-benzyloxyphenyl)-2-chloro-4-nitro-benzenecarbothioamide CAS Name: 2-chloro-4-nitro-N-(4-phenylmethoxyphenyl)benzenecarbothioamide IUPAC Name: 2-chloro-4-nitro-N-(4-phenylmethoxyphenyl)benzenecarbothioamide Traditional Name: N-(4-benzoxyphenyl)-2-chloro-4-nitro-thiobenzamide Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN2O3S/c21-19-12-16(23(24)25)8-11-18(19)20(27)22-15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,27)