1-(4-butylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-(3,4,5-trimethoxybenzyl)thiourea Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H28N2O3S/c1-5-6-7-15-8-10-17(11-9-15)23-21(27)22-14-16-12-18(24-2)20(26-4)19(13-16)25-3/h8-13H,5-7,14H2,1-4H3,(H2,22,23,27)