3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-bromophenyl)-1-(tetrahydrofuran-2-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-bromophenyl)-1-(2-oxolanylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(tetrahydrofurfuryl)-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C22H27BrN2O4S/c1-26-19-11-6-15(20(27-2)21(19)28-3)13-25(14-18-5-4-12-29-18)22(30)24-17-9-7-16(23)8-10-17/h6-11,18H,4-5,12-14H2,1-3H3,(H,24,30)