1-(4-butan-2-ylphenyl)-3-pentyl-thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-pentyl-thiourea Openeye Name: 1-pentyl-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-pentylthiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-pentylthiourea Traditional Name: 1-amyl-3-(4-sec-butylphenyl)thiourea Formula: C16H26N2S MolecularWeight: 278.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=CC=C(C=C1)C(C)CC

Isomeric SMILES

CCCCCNC(=S)NC1=CC=C(C=C1)C(C)CC

InChI

InChI=1S/C16H26N2S/c1-4-6-7-12-17-16(19)18-15-10-8-14(9-11-15)13(3)5-2/h8-11,13H,4-7,12H2,1-3H3,(H2,17,18,19)