1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-thiophen-2-yl-methyl]urea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-thiophen-2-yl-methyl]urea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-(2-thienyl)methyl]urea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-thiophen-2-ylmethyl]urea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-thiophen-2-ylmethyl]urea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-fluorophenyl)-(2-thienyl)methyl]urea Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C21H19FN2O3S/c1-13(15-6-9-17-18(11-15)27-12-26-17)23-21(25)24-20(19-3-2-10-28-19)14-4-7-16(22)8-5-14/h2-11,13,20H,12H2,1H3,(H2,23,24,25)