1-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-3-propyl-thiourea

Systemtic Name: 1-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]-3-propyl-thiourea Openeye Name: 1-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]-3-propyl-thiourea CAS Name: 1-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]-3-propylthiourea IUPAC Name: 1-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]-3-propylthiourea Traditional Name: 1-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]-3-propyl-thiourea Formula: C15H21N5OS2 MolecularWeight: 351.49014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=O)CSC1=NC(=C(C(=C1C#N)C)C)C

Isomeric SMILES

CCCNC(=S)NNC(=O)CSC1=NC(=C(C(=C1C#N)C)C)C

InChI

InChI=1S/C15H21N5OS2/c1-5-6-17-15(22)20-19-13(21)8-23-14-12(7-16)10(3)9(2)11(4)18-14/h5-6,8H2,1-4H3,(H,19,21)(H2,17,20,22)