[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C26H27BrN4OS MolecularWeight: 523.48778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN4OS/c27-22-10-7-13-24(18-22)28-25(32)20-33-26(29-23-11-5-2-6-12-23)31-16-14-30(15-17-31)19-21-8-3-1-4-9-21/h1-13,18H,14-17,19-20H2,(H,28,32)