4-(2-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-hydroxyphenyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-16-4-2-1-3-15(16)19-9-11-20(12-10-19)17(25)18-13-5-7-14(8-6-13)21(23)24/h1-8,22H,9-12H2,(H,18,25)