N-(4-bromanyl-2-chloranyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H23BrClN5S MolecularWeight: 456.83072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H23BrClN5S/c1-12-15(13(2)23(3)22-12)11-24-6-8-25(9-7-24)18(26)21-17-5-4-14(19)10-16(17)20/h4-5,10H,6-9,11H2,1-3H3,(H,21,26)