4-(2-methoxyphenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide

Systemtic Name: 4-(2-methoxyphenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide Openeye Name: 4-(2-methoxyphenyl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]piperazine-1-carbothioamide CAS Name: 4-(2-methoxyphenyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-(2-methoxyphenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperazine-1-carbothioamide Traditional Name: 4-(2-methoxyphenyl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]piperazine-1-carbothioamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4S/c1-25-15-5-3-2-4-14(15)20-8-10-21(11-9-20)17(27)19-18-12-13-6-7-16(26-13)22(23)24/h2-7,12H,8-11H2,1H3,(H,19,27)/b18-12+