1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]thiourea CAS Name: 1-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]thiourea Formula: C19H16N6O2S2 MolecularWeight: 424.49934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O2S2/c26-25(27)16-11-15(7-8-17(16)29-19-20-9-4-10-21-19)13-23-24-18(28)22-12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H2,22,24,28)/b23-13+