1-butyl-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(E)-[4-(methylamino)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(E)-[4-(methylamino)-3-nitro-benzylidene]amino]thiourea Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N/N=C/C1=CC(=C(C=C1)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O2S/c1-3-4-7-15-13(21)17-16-9-10-5-6-11(14-2)12(8-10)18(19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,15,17,21)/b16-9+