1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(3-butoxypropyl)-3-(4-nitrophenyl)thiourea Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOCCCNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3S/c1-2-3-10-20-11-4-9-15-14(21)16-12-5-7-13(8-6-12)17(18)19/h5-8H,2-4,9-11H2,1H3,(H2,15,16,21)