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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(4-bromo-2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide Formula: C24H23BrClN3S MolecularWeight: 500.88152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C24H23BrClN3S/c25-20-11-12-22(21(26)17-20)27-24(30)29-15-13-28(14-16-29)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,23H,13-16H2,(H,27,30)