1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea

Systemtic Name: 1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Openeye Name: 1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea CAS Name: 1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea IUPAC Name: 1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Traditional Name: 1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H20N2O2S/c1-2-3-7-15-14(19)16-11-5-6-12-13(10-11)18-9-4-8-17-12/h5-6,10H,2-4,7-9H2,1H3,(H2,15,16,19)