4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazine-1-carbothioamide

Systemtic Name: 4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazine-1-carbothioamide Openeye Name: 4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazine-1-carbothioamide CAS Name: 4-[3-(3-methyl-4-nitrophenoxy)-1-oxopropyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-(3-methyl-4-nitrophenoxy)propanoyl]piperazine-1-carbothioamide Traditional Name: 4-[3-(3-methyl-4-nitro-phenoxy)propanoyl]piperazine-1-carbothioamide Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O4S/c1-11-10-12(2-3-13(11)19(21)22)23-9-4-14(20)17-5-7-18(8-6-17)15(16)24/h2-3,10H,4-9H2,1H3,(H2,16,24)