1-(3-ethylphenyl)-3-[3-[(3-ethylphenyl)carbamothioylamino]propyl]thiourea

Systemtic Name: 1-(3-ethylphenyl)-3-[3-[(3-ethylphenyl)carbamothioylamino]propyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[3-[(3-ethylphenyl)carbamothioylamino]propyl]thiourea CAS Name: 1-[3-[[(3-ethylanilino)-sulfanylidenemethyl]amino]propyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[3-[(3-ethylphenyl)carbamothioylamino]propyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[3-[(3-ethylphenyl)thiocarbamoylamino]propyl]thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCCCNC(=S)NC2=CC=CC(=C2)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCCCNC(=S)NC2=CC=CC(=C2)CC

InChI

InChI=1S/C21H28N4S2/c1-3-16-8-5-10-18(14-16)24-20(26)22-12-7-13-23-21(27)25-19-11-6-9-17(4-2)15-19/h5-6,8-11,14-15H,3-4,7,12-13H2,1-2H3,(H2,22,24,26)(H2,23,25,27)