1-[(5-hexyl-4-oxidanylidene-1H-pyridin-1-ium-3-yl)carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(5-hexyl-4-oxidanylidene-1H-pyridin-1-ium-3-yl)carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[(5-hexyl-4-oxo-1H-pyridin-1-ium-3-carbonyl)amino]-3-phenyl-thiourea CAS Name: 1-[[(5-hexyl-4-oxo-1H-pyridin-1-ium-3-yl)-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[(5-hexyl-4-oxo-1H-pyridin-1-ium-3-carbonyl)amino]-3-phenylthiourea Traditional Name: 1-[(5-hexyl-4-keto-1H-pyridin-1-ium-3-carbonyl)amino]-3-phenyl-thiourea Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C[NH2+]C=C(C1=O)C(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C[NH2+]C=C(C1=O)C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C19H24N4O2S/c1-2-3-4-6-9-14-12-20-13-16(17(14)24)18(25)22-23-19(26)21-15-10-7-5-8-11-15/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)/p+1