[5-(2-phenylethynyl)thiophen-2-yl]methyl N-[(2-phenylquinolin-4-yl)carbonylamino]carbamate

Systemtic Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl N-[(2-phenylquinolin-4-yl)carbonylamino]carbamate Openeye Name: [5-(2-phenylethynyl)-2-thienyl]methyl N-[(2-phenylquinoline-4-carbonyl)amino]carbamate CAS Name: N-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]carbamic acid [5-(2-phenylethynyl)-2-thiophenyl]methyl ester IUPAC Name: [5-(2-phenylethynyl)thiophen-2-yl]methyl N-[(2-phenylquinoline-4-carbonyl)amino]carbamate Traditional Name: N-[(2-phenylquinoline-4-carbonyl)amino]carbamic acid [5-(2-phenylethynyl)-2-thienyl]methyl ester Formula: C30H21N3O3S MolecularWeight: 503.57104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(S2)COC(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(S2)COC(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H21N3O3S/c34-29(26-19-28(22-11-5-2-6-12-22)31-27-14-8-7-13-25(26)27)32-33-30(35)36-20-24-18-17-23(37-24)16-15-21-9-3-1-4-10-21/h1-14,17-19H,20H2,(H,32,34)(H,33,35)