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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5-bromo-2-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5-bromo-2-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5-bromo-2-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(5-bromo-2-methoxy-phenyl)ethyl]thiourea Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17BrN2O3S/c1-21-14-4-2-12(18)8-11(14)6-7-19-17(24)20-13-3-5-15-16(9-13)23-10-22-15/h2-5,8-9H,6-7,10H2,1H3,(H2,19,20,24)