2-(1-azanyl-2-phenyl-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-2-phenyl-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-2-phenyl-ethyl)-N-(1,3-benzodioxol-5-ylmethyl)thiazole-4-carboxamide CAS Name: 2-(1-amino-2-phenylethyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-(1-amino-2-phenylethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1-amino-2-phenyl-ethyl)-N-piperonyl-thiazole-4-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C20H19N3O3S/c21-15(8-13-4-2-1-3-5-13)20-23-16(11-27-20)19(24)22-10-14-6-7-17-18(9-14)26-12-25-17/h1-7,9,11,15H,8,10,12,21H2,(H,22,24)