4-(4-nitrophenyl)-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-2-7-15-14(21)17-10-8-16(9-11-17)12-3-5-13(6-4-12)18(19)20/h2-6H,1,7-11H2,(H,15,21)