2-(1,3-benzodioxol-5-yl)-N-phenyl-5-(phenylcarbamoylamino)-2H-1,3,4-thiadiazole-3-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-phenyl-5-(phenylcarbamoylamino)-2H-1,3,4-thiadiazole-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-phenyl-5-(phenylcarbamoylamino)-2H-1,3,4-thiadiazole-3-carboxamide CAS Name: 5-[[anilino(oxo)methyl]amino]-2-(1,3-benzodioxol-5-yl)-N-phenyl-2H-1,3,4-thiadiazole-3-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-phenyl-5-(phenylcarbamoylamino)-2H-1,3,4-thiadiazole-3-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-phenyl-5-(phenylcarbamoylamino)-2H-1,3,4-thiadiazole-3-carboxamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3N(N=C(S3)NC(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3N(N=C(S3)NC(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C23H19N5O4S/c29-21(24-16-7-3-1-4-8-16)26-22-27-28(23(30)25-17-9-5-2-6-10-17)20(33-22)15-11-12-18-19(13-15)32-14-31-18/h1-13,20H,14H2,(H,25,30)(H2,24,26,27,29)