N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(3-cyclopentylpropanoylamino)-3-phenyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(3-cyclopentylpropanoylamino)-3-phenyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(3-cyclopentylpropanoylamino)-3-phenyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(3-cyclopentylpropanoylamino)-3-phenylpropanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-(3-cyclopentylpropanoylamino)-3-phenyl-propionamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4S/c31-23(13-10-17-6-4-5-7-17)27-20(14-18-8-2-1-3-9-18)24(32)28-26-30-29-25(35-26)19-11-12-21-22(15-19)34-16-33-21/h1-3,8-9,11-12,15,17,20H,4-7,10,13-14,16H2,(H,27,31)(H,28,30,32)