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

Systemtic Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-hexylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-hexylbenzoyl)pyrrolidine-2-carboxamide Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O2S/c1-2-3-4-5-8-18-12-14-19(15-13-18)25(33)31-16-7-11-22(31)23(32)28-26-30-29-24(34-26)20-9-6-10-21(27)17-20/h6,9-10,12-15,17,22H,2-5,7-8,11,16H2,1H3,(H,28,30,32)