4-(3-nitrophenyl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-nitrophenyl)sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(3-nitrophenyl)sulfonyl-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-nitrophenyl)sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S2/c1-2-6-15-14(23)16-7-9-17(10-8-16)24(21,22)13-5-3-4-12(11-13)18(19)20/h2-5,11H,1,6-10H2,(H,15,23)