1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea CAS Name: 1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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