1-butyl-3-[(4-butylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-butyl-3-[(4-butylphenyl)carbamothioylamino]thiourea Openeye Name: 1-butyl-3-[(4-butylphenyl)carbamothioylamino]thiourea CAS Name: 1-butyl-3-[[(4-butylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(4-butylphenyl)carbamothioylamino]thiourea Traditional Name: 1-butyl-3-[(4-butylphenyl)thiocarbamoylamino]thiourea Formula: C16H26N4S2 MolecularWeight: 338.53444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCC

InChI

InChI=1S/C16H26N4S2/c1-3-5-7-13-8-10-14(11-9-13)18-16(22)20-19-15(21)17-12-6-4-2/h8-11H,3-7,12H2,1-2H3,(H2,17,19,21)(H2,18,20,22)