1-[(3-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[(3-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(3-bromobenzyl)-3-homoveratryl-thiourea Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C18H21BrN2O2S/c1-22-16-7-6-13(11-17(16)23-2)8-9-20-18(24)21-12-14-4-3-5-15(19)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,21,24)