N-(4-bromanyl-2-chloranyl-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(4-bromo-2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide Formula: C18H19BrClN3S MolecularWeight: 424.78556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H19BrClN3S/c19-15-6-7-17(16(20)12-15)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)