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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-bromo-4-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-bromo-4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-bromo-4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(3-bromo-4-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)CCNC(=S)NCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

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

InChI

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