N-(2-chloranyl-5-nitro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(4-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O3S/c18-15-6-3-13(22(24)25)11-16(15)19-17(26)21-9-7-20(8-10-21)12-1-4-14(23)5-2-12/h1-6,11,23H,7-10H2,(H,19,26)