1-butyl-3-[(2,4-dinitrophenyl)amino]thiourea

Systemtic Name: 1-butyl-3-[(2,4-dinitrophenyl)amino]thiourea Openeye Name: 1-butyl-3-(2,4-dinitroanilino)thiourea CAS Name: 1-butyl-3-(2,4-dinitroanilino)thiourea IUPAC Name: 1-butyl-3-(2,4-dinitroanilino)thiourea Traditional Name: 1-butyl-3-(2,4-dinitroanilino)thiourea Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O4S/c1-2-3-6-12-11(21)14-13-9-5-4-8(15(17)18)7-10(9)16(19)20/h4-5,7,13H,2-3,6H2,1H3,(H2,12,14,21)