1-methyl-3-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[(5-oct-1-ynylpyridin-3-yl)carbonylamino]thiourea Openeye Name: 1-methyl-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]thiourea CAS Name: 1-methyl-3-[[(5-oct-1-ynyl-3-pyridinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-methyl-3-[(5-oct-1-ynylpyridine-3-carbonyl)amino]thiourea Traditional Name: 1-methyl-3-[(5-oct-1-ynylnicotinoyl)amino]thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=S)NC

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C(=O)NNC(=S)NC

InChI

InChI=1S/C16H22N4OS/c1-3-4-5-6-7-8-9-13-10-14(12-18-11-13)15(21)19-20-16(22)17-2/h10-12H,3-7H2,1-2H3,(H,19,21)(H2,17,20,22)