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

Systemtic Name: 1-(4-hexylphenyl)carbonyl-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(4-hexylbenzoyl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(4-hexylphenyl)-oxomethyl]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-hexylbenzoyl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(4-hexylbenzoyl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H32N4O3S/c1-3-4-5-6-9-19-13-15-20(16-14-19)26(33)31-17-8-12-23(31)24(32)28-27-30-29-25(35-27)21-10-7-11-22(18-21)34-2/h7,10-11,13-16,18,23H,3-6,8-9,12,17H2,1-2H3,(H,28,30,32)