1-[2-(2-methylphenyl)sulfanylethanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[2-(2-methylphenyl)sulfanylethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-(o-tolylsulfanyl)acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-(2-methylphenyl)sulfanylacetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-(o-tolylthio)acetyl]amino]thiourea Formula: C15H23N3OS2 MolecularWeight: 325.49262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CSC1=CC=CC=C1C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CSC1=CC=CC=C1C

InChI

InChI=1S/C15H23N3OS2/c1-3-4-7-10-16-15(20)18-17-14(19)11-21-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,17,19)(H2,16,18,20)