4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazine-1-carbothioamide

Systemtic Name: 4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazine-1-carbothioamide Openeye Name: 4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazine-1-carbothioamide CAS Name: 4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazine-1-carbothioamide Traditional Name: 4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazine-1-carbothioamide Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=S)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C(=S)N

InChI

InChI=1S/C15H20BrN3O2S/c1-11-10-12(16)2-3-13(11)21-9-4-14(20)18-5-7-19(8-6-18)15(17)22/h2-3,10H,4-9H2,1H3,(H2,17,22)