N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-phenylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-phenylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-[oxo-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=NN=C(S4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=NN=C(S4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H22N4O4S/c32-24(28-27-30-29-25(36-27)20-12-13-22-23(15-20)35-16-34-22)21-7-4-14-31(21)26(33)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,28,30,32)