1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pentan-2-yl-thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pentan-2-yl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylbutyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pentan-2-ylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pentan-2-ylthiourea Traditional Name: 1-homoveratryl-3-(1-methylbutyl)thiourea Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=S)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCC(C)NC(=S)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H26N2O2S/c1-5-6-12(2)18-16(21)17-10-9-13-7-8-14(19-3)15(11-13)20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,17,18,21)