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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3,5-dimethoxyphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3,5-dimethoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(3,5-dimethoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3,5-dimethoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3,5-dimethoxybenzoyl)pyrrolidine-2-carboxamide Formula: C22H21BrN4O4S MolecularWeight: 517.39554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H21BrN4O4S/c1-30-16-10-14(11-17(12-16)31-2)21(29)27-9-3-4-18(27)19(28)24-22-26-25-20(32-22)13-5-7-15(23)8-6-13/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,24,26,28)