N-(3-phenylpropyl)-N-[2-(pyridin-4-ylcarbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-1,3-benzoxazole-2-carboxamide

Systemtic Name: N-(3-phenylpropyl)-N-[2-(pyridin-4-ylcarbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-1,3-benzoxazole-2-carboxamide Openeye Name: N-(3-phenylpropyl)-N-[2-(pyridine-4-carbonylamino)-3-(3-thienylmethylsulfonyl)propanoyl]-1,3-benzoxazole-2-carboxamide CAS Name: N-[1-oxo-2-[[oxo(pyridin-4-yl)methyl]amino]-3-(3-thiophenylmethylsulfonyl)propyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide IUPAC Name: N-(3-phenylpropyl)-N-[2-(pyridine-4-carbonylamino)-3-(thiophen-3-ylmethylsulfonyl)propanoyl]-1,3-benzoxazole-2-carboxamide Traditional Name: N-[2-isonicotinamido-3-(3-thenylsulfonyl)propanoyl]-N-(3-phenylpropyl)-1,3-benzoxazole-2-carboxamide Formula: C31H28N4O6S2 MolecularWeight: 616.70722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C(=O)C2=NC3=CC=CC=C3O2)C(=O)C(CS(=O)(=O)CC4=CSC=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C(=O)C2=NC3=CC=CC=C3O2)C(=O)C(CS(=O)(=O)CC4=CSC=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C31H28N4O6S2/c36-28(24-12-15-32-16-13-24)33-26(21-43(39,40)20-23-14-18-42-19-23)30(37)35(17-6-9-22-7-2-1-3-8-22)31(38)29-34-25-10-4-5-11-27(25)41-29/h1-5,7-8,10-16,18-19,26H,6,9,17,20-21H2,(H,33,36)