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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(phenylcarbamoylamino)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(phenylcarbamoylamino)propanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(phenylcarbamoylamino)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(phenylcarbamoylamino)propionamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C(CC4=CC=CC=C4)NC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(S3)NC(=O)C(CC4=CC=CC=C4)NC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4S/c31-22(28-25-30-29-23(35-25)17-11-12-20-21(14-17)34-15-33-20)19(13-16-7-3-1-4-8-16)27-24(32)26-18-9-5-2-6-10-18/h1-12,14,19H,13,15H2,(H2,26,27,32)(H,28,30,31)