1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea

Systemtic Name: 1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea Openeye Name: 1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea CAS Name: 1-hexyl-3-[4-[[(hexylamino)-sulfanylidenemethyl]amino]phenyl]thiourea IUPAC Name: 1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea Traditional Name: 1-hexyl-3-[4-(hexylthiocarbamoylamino)phenyl]thiourea Formula: C20H34N4S2 MolecularWeight: 394.64076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC=C(C=C1)NC(=S)NCCCCCC

Isomeric SMILES

CCCCCCNC(=S)NC1=CC=C(C=C1)NC(=S)NCCCCCC

InChI

InChI=1S/C20H34N4S2/c1-3-5-7-9-15-21-19(25)23-17-11-13-18(14-12-17)24-20(26)22-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,21,23,25)(H2,22,24,26)