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

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-(3-bromobenzyl)-3-(2,4-dimethoxyphenyl)-1-(2-furfuryl)thiourea Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CC=CO3)OC

InChI

InChI=1S/C21H21BrN2O3S/c1-25-17-8-9-19(20(12-17)26-2)23-21(28)24(14-18-7-4-10-27-18)13-15-5-3-6-16(22)11-15/h3-12H,13-14H2,1-2H3,(H,23,28)