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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5-bromo-2-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5-bromo-2-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(5-bromo-2-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-piperonyl-thiourea Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19BrN2O3S/c1-22-15-5-3-14(19)9-13(15)6-7-20-18(25)21-10-12-2-4-16-17(8-12)24-11-23-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,20,21,25)