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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)-thiophen-2-yl-methyl]urea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[p-tolyl(2-thienyl)methyl]urea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[p-tolyl(2-thienyl)methyl]urea Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)NC(C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3S/c1-14-5-7-16(8-6-14)21(20-4-3-11-28-20)24-22(25)23-15(2)17-9-10-18-19(12-17)27-13-26-18/h3-12,15,21H,13H2,1-2H3,(H2,23,24,25)