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

Systemtic Name: 2-[(4-ethynylphenyl)carbamothioylamino]-2-phenyl-N-[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]ethanamide Openeye Name: 2-[(4-ethynylphenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide CAS Name: 2-[[(4-ethynylanilino)-sulfanylidenemethyl]amino]-N-[4-[imino(1-pyrrolidinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: 2-[(4-ethynylphenyl)carbamothioylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Traditional Name: 2-[(4-ethynylphenyl)thiocarbamoylamino]-2-phenyl-N-[4-(pyrrolidine-1-carboximidoyl)phenyl]acetamide Formula: C28H27N5OS MolecularWeight: 481.61188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5OS/c1-2-20-10-14-24(15-11-20)31-28(35)32-25(21-8-4-3-5-9-21)27(34)30-23-16-12-22(13-17-23)26(29)33-18-6-7-19-33/h1,3-5,8-17,25,29H,6-7,18-19H2,(H,30,34)(H2,31,32,35)