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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O4S/c1-30-15-8-9-16(18(12-15)31-2)21(29)27-10-4-7-17(27)19(28)24-22-26-25-20(32-22)13-5-3-6-14(23)11-13/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3,(H,24,26,28)