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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-ethylphenyl)carbamoylamino]-3-phenyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-ethylphenyl)carbamoylamino]-3-phenyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[[(3-ethylanilino)-oxomethyl]amino]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-ethylphenyl)carbamoylamino]-3-phenylpropanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(3-ethylphenyl)carbamoylamino]-3-phenyl-propionamide Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N5O4S/c1-2-17-9-6-10-20(13-17)28-26(34)29-21(14-18-7-4-3-5-8-18)24(33)30-27-32-31-25(37-27)19-11-12-22-23(15-19)36-16-35-22/h3-13,15,21H,2,14,16H2,1H3,(H2,28,29,34)(H,30,32,33)