3-butyl-1-methyl-1-[(E)-(3-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 3-butyl-1-methyl-1-[(E)-(3-nitrophenyl)methylideneamino]thiourea Openeye Name: 3-butyl-1-methyl-1-[(E)-(3-nitrophenyl)methyleneamino]thiourea CAS Name: 3-butyl-1-methyl-1-[(E)-(3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 3-butyl-1-methyl-1-[(E)-(3-nitrophenyl)methylideneamino]thiourea Traditional Name: 3-butyl-1-methyl-1-[(E)-(3-nitrobenzylidene)amino]thiourea Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-3-4-8-14-13(20)16(2)15-10-11-6-5-7-12(9-11)17(18)19/h5-7,9-10H,3-4,8H2,1-2H3,(H,14,20)/b15-10+