3-(4-butylphenyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(4-butylphenyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-thiourea CAS Name: 3-(4-butylphenyl)-1-[(2-methoxy-5-methylphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(4-butylphenyl)-1-[(2-methoxy-5-methylphenyl)methyl]-1-methylthiourea Traditional Name: 3-(4-butylphenyl)-1-(2-methoxy-5-methyl-benzyl)-1-methyl-thiourea Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS/c1-5-6-7-17-9-11-19(12-10-17)22-21(25)23(3)15-18-14-16(2)8-13-20(18)24-4/h8-14H,5-7,15H2,1-4H3,(H,22,25)