1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C16H14BrClN2O2S MolecularWeight: 413.71656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H14BrClN2O2S/c1-9(10-2-5-14-15(6-10)22-8-21-14)19-16(23)20-13-4-3-11(17)7-12(13)18/h2-7,9H,8H2,1H3,(H2,19,20,23)