4-(4-nitrophenyl)-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-phenethyl-piperazine-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S/c24-23(25)18-8-6-17(7-9-18)21-12-14-22(15-13-21)19(26)20-11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,20,26)