N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-2-phenyl-ethanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]thiazol-2-yl]-2-phenyl-acetamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-thiazolyl]-2-phenylacetamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-phenylacetamide Traditional Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thiazol-2-yl]-2-phenyl-acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CSC(=N3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CSC(=N3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c24-18(8-13-4-2-1-3-5-13)23-20-22-15(11-28-20)10-19(25)21-14-6-7-16-17(9-14)27-12-26-16/h1-7,9,11H,8,10,12H2,(H,21,25)(H,22,23,24)