3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-(4-butylphenyl)-1-cyclopentyl-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=C(C(=C(C=C2)OC)OC)OC)C3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CC2=C(C(=C(C=C2)OC)OC)OC)C3CCCC3

InChI

InChI=1S/C26H36N2O3S/c1-5-6-9-19-12-15-21(16-13-19)27-26(32)28(22-10-7-8-11-22)18-20-14-17-23(29-2)25(31-4)24(20)30-3/h12-17,22H,5-11,18H2,1-4H3,(H,27,32)