(2S)-2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide Openeye Name: (2S)-2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide CAS Name: (2S)-2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-N-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Traditional Name: (2S)-2-[(4-bromophenyl)thiocarbamoylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Formula: C26H26BrN5OS MolecularWeight: 536.48654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=N)C2=CC=C(C=C2)NC(=O)[C@H](C3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H26BrN5OS/c27-20-10-14-22(15-11-20)30-26(34)31-23(18-6-2-1-3-7-18)25(33)29-21-12-8-19(9-13-21)24(28)32-16-4-5-17-32/h1-3,6-15,23,28H,4-5,16-17H2,(H,29,33)(H2,30,31,34)/t23-/m0/s1