1-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromanyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromanyl-4-methyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromo-4-methyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromo-4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromo-4-methylphenyl)thiourea Traditional Name: 1-(2-bromo-4-methyl-phenyl)-3-piperonyl-thiourea Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C16H15BrN2O2S/c1-10-2-4-13(12(17)6-10)19-16(22)18-8-11-3-5-14-15(7-11)21-9-20-14/h2-7H,8-9H2,1H3,(H2,18,19,22)