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

Systemtic Name: 1-[(5-butyl-4-oxidanylidene-1H-pyridin-1-ium-3-yl)carbonylamino]-3-methyl-thiourea Openeye Name: 1-[(5-butyl-4-oxo-1H-pyridin-1-ium-3-carbonyl)amino]-3-methyl-thiourea CAS Name: 1-[[(5-butyl-4-oxo-1H-pyridin-1-ium-3-yl)-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[(5-butyl-4-oxo-1H-pyridin-1-ium-3-carbonyl)amino]-3-methylthiourea Traditional Name: 1-[(5-butyl-4-keto-1H-pyridin-1-ium-3-carbonyl)amino]-3-methyl-thiourea Formula: C12H19N4O2S+ MolecularWeight: 283.36986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[NH2+]C=C(C1=O)C(=O)NNC(=S)NC

Isomeric SMILES

CCCCC1=C[NH2+]C=C(C1=O)C(=O)NNC(=S)NC

InChI

InChI=1S/C12H18N4O2S/c1-3-4-5-8-6-14-7-9(10(8)17)11(18)15-16-12(19)13-2/h6-7H,3-5H2,1-2H3,(H,14,17)(H,15,18)(H2,13,16,19)/p+1