4-(3-methoxyphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-methoxyphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-methoxyphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(3-methoxyphenyl)-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-methoxyphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-methoxyphenyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c1-25-17-7-3-5-15(13-17)20-8-10-21(11-9-20)18(26)19-14-4-2-6-16(12-14)22(23)24/h2-7,12-13H,8-11H2,1H3,(H,19,26)