1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenoxy)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenoxy)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenoxy)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenoxy)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenoxy)phenyl]thiourea Traditional Name: 1-[4-(3-methylphenoxy)phenyl]-3-piperonyl-thiourea Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O3S/c1-15-3-2-4-19(11-15)27-18-8-6-17(7-9-18)24-22(28)23-13-16-5-10-20-21(12-16)26-14-25-20/h2-12H,13-14H2,1H3,(H2,23,24,28)