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

Systemtic Name: 3-(4-butylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-thiourea CAS Name: 3-(4-butylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(4-butylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methylthiourea Traditional Name: 3-(4-butylphenyl)-1-methyl-1-o-veratryl-thiourea Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-5-6-8-16-11-13-18(14-12-16)22-21(26)23(2)15-17-9-7-10-19(24-3)20(17)25-4/h7,9-14H,5-6,8,15H2,1-4H3,(H,22,26)