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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(2-methoxy-5-methyl-phenyl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(2-methoxy-5-methyl-phenyl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(2-methoxy-5-methylphenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(2-methoxy-5-methyl-phenyl)acetyl]amino]thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-4-5-6-16-8-10-18(11-9-16)22-21(27)24-23-20(25)14-17-13-15(2)7-12-19(17)26-3/h7-13H,4-6,14H2,1-3H3,(H,23,25)(H2,22,24,27)