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

Systemtic Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-butylphenyl)-1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea Traditional Name: 3-(4-butylphenyl)-1-cyclopentyl-1-o-veratryl-thiourea Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2S/c1-4-5-9-19-14-16-21(17-15-19)26-25(30)27(22-11-6-7-12-22)18-20-10-8-13-23(28-2)24(20)29-3/h8,10,13-17,22H,4-7,9,11-12,18H2,1-3H3,(H,26,30)