N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[(2-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C23H23FN4O4S MolecularWeight: 470.516523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C23H23FN4O4S/c1-14(2)28(23(30)27-17-6-4-3-5-16(17)24)11-21-26-18(12-33-21)22(29)25-10-15-7-8-19-20(9-15)32-13-31-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,29)(H,27,30)