1-(3-azanyl-3-sulfanylidene-propyl)-3-propyl-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-(3-azanyl-3-sulfanylidene-propyl)-3-propyl-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-(3-amino-3-thioxo-propyl)-3-propyl-1-(3-pyridylmethyl)urea CAS Name: 1-(3-amino-3-sulfanylidenepropyl)-3-propyl-1-(3-pyridinylmethyl)urea IUPAC Name: 1-(3-amino-3-sulfanylidenepropyl)-3-propyl-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-(3-amino-3-thioxo-propyl)-3-propyl-1-(3-pyridylmethyl)urea Formula: C13H20N4OS MolecularWeight: 280.3891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(CCC(=S)N)CC1=CN=CC=C1

Isomeric SMILES

CCCNC(=O)N(CCC(=S)N)CC1=CN=CC=C1

InChI

InChI=1S/C13H20N4OS/c1-2-6-16-13(18)17(8-5-12(14)19)10-11-4-3-7-15-9-11/h3-4,7,9H,2,5-6,8,10H2,1H3,(H2,14,19)(H,16,18)