3-octyl-1-[4-(octylcarbamothioylamino)phenyl]-1-phenyl-thiourea

Systemtic Name: 3-octyl-1-[4-(octylcarbamothioylamino)phenyl]-1-phenyl-thiourea Openeye Name: 3-octyl-1-[4-(octylcarbamothioylamino)phenyl]-1-phenyl-thiourea CAS Name: 3-octyl-1-[4-[[(octylamino)-sulfanylidenemethyl]amino]phenyl]-1-phenylthiourea IUPAC Name: 3-octyl-1-[4-(octylcarbamothioylamino)phenyl]-1-phenylthiourea Traditional Name: 3-octyl-1-[4-(octylthiocarbamoylamino)phenyl]-1-phenyl-thiourea Formula: C30H46N4S2 MolecularWeight: 526.84304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)NCCCCCCCC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)NCCCCCCCC

InChI

InChI=1S/C30H46N4S2/c1-3-5-7-9-11-16-24-31-29(35)33-26-20-22-28(23-21-26)34(27-18-14-13-15-19-27)30(36)32-25-17-12-10-8-6-4-2/h13-15,18-23H,3-12,16-17,24-25H2,1-2H3,(H,32,36)(H2,31,33,35)