3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-dipropyl-thiourea

Systemtic Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-dipropyl-thiourea Openeye Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-1,1-dipropyl-thiourea CAS Name: 3-[(E)-(5-nitro-2-furanyl)methylideneamino]-1,1-dipropylthiourea IUPAC Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-dipropylthiourea Traditional Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-1,1-dipropyl-thiourea Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NN=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=S)N/N=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O3S/c1-3-7-15(8-4-2)12(20)14-13-9-10-5-6-11(19-10)16(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,20)/b13-9+