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

Systemtic Name: (2S)-2-[(4-bromanyl-2-methyl-phenyl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide Openeye Name: (2S)-2-[(4-bromo-2-methyl-phenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide CAS Name: (2S)-2-[[(4-bromo-2-methylanilino)-sulfanylidenemethyl]amino]-N-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(4-bromo-2-methylphenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Traditional Name: (2S)-2-[(4-bromo-2-methyl-phenyl)thiocarbamoylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Formula: C27H28BrN5OS MolecularWeight: 550.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)N[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N4CCCC4

InChI

InChI=1S/C27H28BrN5OS/c1-18-17-21(28)11-14-23(18)31-27(35)32-24(19-7-3-2-4-8-19)26(34)30-22-12-9-20(10-13-22)25(29)33-15-5-6-16-33/h2-4,7-14,17,24,29H,5-6,15-16H2,1H3,(H,30,34)(H2,31,32,35)/t24-/m0/s1